PubChemLite - Basic blue 26 (C33H31N3)

Structural Information

Molecular Formula

SMILES

CN(C)C1=CC=C(C=C1)C(=C2C=CC(=NC3=CC=CC=C3)C4=CC=CC=C24)C5=CC=C(C=C5)N(C)C

InChI

InChI=1S/C33H31N3/c1-35(2)27-18-14-24(15-19-27)33(25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26/h5-23H,1-4H3

InChIKey

DBBPLAJYLIMROH-UHFFFAOYSA-N

Compound name

4-[[4-(dimethylamino)phenyl]-(4-phenyliminonaphthalen-1-ylidene)methyl]-N,N-dimethylaniline

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]+	470.25908	220.3
[M+Na]+	492.24102	222.9
[M-H]-	468.24452	235.4
[M+NH4]+	487.28562	228.5
[M+K]+	508.21496	216.7
[M+H-H2O]+	452.24906	206.3
[M+HCOO]-	514.25000	242.8
[M+CH3COO]-	528.26565	227.7
[M+Na-2H]-	490.22647	221.1
[M]+	469.25125	218.7
[M]-	469.25235	218.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

470.25908

220.3

[M+Na]+

492.24102

222.9

[M-H]-

468.24452

235.4

[M+NH4]+

487.28562

228.5

[M+K]+

508.21496

216.7

[M+H-H2O]+

452.24906

206.3

[M+HCOO]-

514.25000

242.8

[M+CH3COO]-

528.26565

227.7

[M+Na-2H]-

490.22647

221.1

[M]+

469.25125

218.7

[M]-

469.25235

218.7

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

Basic blue 26

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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