Einecs 284-786-2 (C33H34N4)

Structural Information

Molecular Formula

SMILES

CN(C)C1=CC=C(C=C1)C(=C2C=CC(C=C2)(CN)CN)C3=CC=C(C4=CC=CC=C43)NC5=CC=CC=C5

InChI

InChI=1S/C33H34N4/c1-37(2)27-14-12-24(13-15-27)32(25-18-20-33(22-34,23-35)21-19-25)30-16-17-31(29-11-7-6-10-28(29)30)36-26-8-4-3-5-9-26/h3-21,36H,22-23,34-35H2,1-2H3

InChIKey

GFSIETYPJNQZHW-UHFFFAOYSA-N

Compound name

4-[[4,4-bis(aminomethyl)cyclohexa-2,5-dien-1-ylidene]-[4-(dimethylamino)phenyl]methyl]-N-phenylnaphthalen-1-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]+	487.285626	221.9
[M+Na]+	509.267568	224.3
[M-H]-	485.271074	233.7
[M+NH4]+	504.312173	229.6
[M+K]+	525.241508	216.7
[M+H-H2O]+	469.275610	208.8
[M+HCOO]-	531.276551	242.3
[M+CH3COO]-	545.292201	227.9
[M+Na-2H]-	507.253016	223.4
[M]+	486.27780142	216.4
[M]-	486.27889858	216.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

487.285626

221.9

[M+Na]+

509.267568

224.3

[M-H]-

485.271074

233.7

[M+NH4]+

504.312173

229.6

[M+K]+

525.241508

216.7

[M+H-H2O]+

469.275610

208.8

[M+HCOO]-

531.276551

242.3

[M+CH3COO]-

545.292201

227.9

[M+Na-2H]-

507.253016

223.4

[M]+

486.27780142

216.4

[M]-

486.27889858

216.4

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

Einecs 284-786-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe