PubChemLite - Methyl-violett (C24H28N3)

Structural Information

Molecular Formula

C₂₄H₂₈N₃

SMILES

CNC1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C24H27N3/c1-25-21-12-6-18(7-13-21)24(19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4)5/h6-17H,1-5H3/p+1

InChIKey

AMPCGOAFZFKBGH-UHFFFAOYSA-O

Compound name

[4-[[4-(dimethylamino)phenyl]-[4-(methylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium

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]+	359.23561	192.7
[M+Na]+	381.21755	195.6
[M-H]-	357.22105	204.3
[M+NH4]+	376.26215	204.8
[M+K]+	397.19149	185.7
[M+H-H2O]+	341.22559	184.7
[M+HCOO]-	403.22653	216.3
[M+CH3COO]-	417.24218	223.8
[M+Na-2H]-	379.20300	195.3
[M]+	358.22778	189.3
[M]-	358.22888	189.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

359.23561

192.7

[M+Na]+

381.21755

195.6

[M-H]-

357.22105

204.3

[M+NH4]+

376.26215

204.8

[M+K]+

397.19149

185.7

[M+H-H2O]+

341.22559

184.7

[M+HCOO]-

403.22653

216.3

[M+CH3COO]-

417.24218

223.8

[M+Na-2H]-

379.20300

195.3

[M]+

358.22778

189.3

[M]-

358.22888

189.3

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

Methyl-violett

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe