PubChemLite - Benzenamine, 4,4'-((4-(phenylimino)-2,5-cyclohexadien-1-ylidene)methylene)bis(n-phenyl- (C37H29N3)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)C(=C3C=CC(=NC4=CC=CC=C4)C=C3)C5=CC=C(C=C5)NC6=CC=CC=C6

InChI

InChI=1S/C37H29N3/c1-4-10-31(11-5-1)38-34-22-16-28(17-23-34)37(29-18-24-35(25-19-29)39-32-12-6-2-7-13-32)30-20-26-36(27-21-30)40-33-14-8-3-9-15-33/h1-27,38-39H

InChIKey

MIIMIZNJMPQNKO-UHFFFAOYSA-N

Compound name

4-[(4-anilinophenyl)-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)methyl]-N-phenylaniline

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]+	516.24343	226.5
[M+Na]+	538.22537	227.4
[M-H]-	514.22887	242.6
[M+NH4]+	533.26997	229.1
[M+K]+	554.19931	217.5
[M+H-H2O]+	498.23341	211.1
[M+HCOO]-	560.23435	248.5
[M+CH3COO]-	574.25000	231.7
[M+Na-2H]-	536.21082	229.5
[M]+	515.23560	219.1
[M]-	515.23670	219.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

516.24343

226.5

[M+Na]+

538.22537

227.4

[M-H]-

514.22887

242.6

[M+NH4]+

533.26997

229.1

[M+K]+

554.19931

217.5

[M+H-H2O]+

498.23341

211.1

[M+HCOO]-

560.23435

248.5

[M+CH3COO]-

574.25000

231.7

[M+Na-2H]-

536.21082

229.5

[M]+

515.23560

219.1

[M]-

515.23670

219.1

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

Benzenamine, 4,4'-((4-(phenylimino)-2,5-cyclohexadien-1-ylidene)methylene)bis(n-phenyl-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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