PubChemLite - Copper, ((2,2'-(1-(2-ethoxyethyl)-1,2-ethanediylidene)bis(n-((3-bromo-4-methoxyphenyl)methyl)hydrazinecarbothioamidato))(2-)-n(sup 2),n(sup 2'),s,s')- (C24H32Br2N6O3S2)

Structural Information

Molecular Formula

SMILES

CCOCCC(/C=N/NC(=S)NCC1=CC(=C(C=C1)OC)Br)NNC(=S)NCC2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C24H32Br2N6O3S2/c1-4-35-10-9-18(30-32-24(37)28-14-17-6-8-22(34-3)20(26)12-17)15-29-31-23(36)27-13-16-5-7-21(33-2)19(25)11-16/h5-8,11-12,15,18,30H,4,9-10,13-14H2,1-3H3,(H2,27,31,36)(H2,28,32,37)/b29-15+

InChIKey

ULPCIKHSIRHZSZ-WKULSOCRSA-N

Compound name

1-[(3-bromo-4-methoxyphenyl)methyl]-3-[(E)-[2-[2-[(3-bromo-4-methoxyphenyl)methylcarbamothioyl]hydrazinyl]-4-ethoxybutylidene]amino]thiourea

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	675.04168	191.3
[M+Na]+	697.02362	193.3
[M-H]-	673.02712	197.3
[M+NH4]+	692.06822	196.7
[M+K]+	712.99756	173.1
[M+H-H2O]+	657.03166	190.4
[M+HCOO]-	719.03260	199.2
[M+CH3COO]-	733.04825	265.6
[M+Na-2H]-	695.00907	194.0
[M]+	674.03385	225.3
[M]-	674.03495	225.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

675.04168

191.3

[M+Na]+

697.02362

193.3

[M-H]-

673.02712

197.3

[M+NH4]+

692.06822

196.7

[M+K]+

712.99756

173.1

[M+H-H2O]+

657.03166

190.4

[M+HCOO]-

719.03260

199.2

[M+CH3COO]-

733.04825

265.6

[M+Na-2H]-

695.00907

194.0

[M]+

674.03385

225.3

[M]-

674.03495

225.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Copper, ((2,2'-(1-(2-ethoxyethyl)-1,2-ethanediylidene)bis(n-((3-bromo-4-methoxyphenyl)methyl)hydrazinecarbothioamidato))(2-)-n(sup 2),n(sup 2'),s,s')-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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