CID 56843480

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

Molecular Formula
C24H32Br2N6O3S2
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

compound 2d structure
1
Annotation Hits

0
References

0
Patents

674.0344 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 675.04168 187.1
[M+Na]+ 697.02362 178.0
[M+NH4]+ 692.06822 186.4
[M+K]+ 712.99756 183.2
[M-H]- 673.02712 189.1
[M+Na-2H]- 695.00907 188.0
[M]+ 674.03385 185.4
[M]- 674.03495 185.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.