PubChemLite - 1h-pyrrole-3-carboxaldehyde, 2,5-dimethyl-1-phenyl-, (6-cyclohexyl-2-methyl-4-quinolinyl)hydrazone (C29H32N4)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C2C=C(C=CC2=N1)C3CCCCC3)N/N=C/C4=C(N(C(=C4)C)C5=CC=CC=C5)C

InChI

InChI=1S/C29H32N4/c1-20-16-29(27-18-24(14-15-28(27)31-20)23-10-6-4-7-11-23)32-30-19-25-17-21(2)33(22(25)3)26-12-8-5-9-13-26/h5,8-9,12-19,23H,4,6-7,10-11H2,1-3H3,(H,31,32)/b30-19+

InChIKey

NKZBAAGJWPBJBH-NDZAJKAJSA-N

Compound name

6-cyclohexyl-N-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-2-methylquinolin-4-amine

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]+	437.26998	211.3
[M+Na]+	459.25192	217.4
[M-H]-	435.25542	223.0
[M+NH4]+	454.29652	220.4
[M+K]+	475.22586	208.5
[M+H-H2O]+	419.25996	198.1
[M+HCOO]-	481.26090	231.3
[M+CH3COO]-	495.27655	219.3
[M+Na-2H]-	457.23737	211.0
[M]+	436.26215	209.6
[M]-	436.26325	209.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

437.26998

211.3

[M+Na]+

459.25192

217.4

[M-H]-

435.25542

223.0

[M+NH4]+

454.29652

220.4

[M+K]+

475.22586

208.5

[M+H-H2O]+

419.25996

198.1

[M+HCOO]-

481.26090

231.3

[M+CH3COO]-

495.27655

219.3

[M+Na-2H]-

457.23737

211.0

[M]+

436.26215

209.6

[M]-

436.26325

209.6

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

1h-pyrrole-3-carboxaldehyde, 2,5-dimethyl-1-phenyl-, (6-cyclohexyl-2-methyl-4-quinolinyl)hydrazone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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