PubChemLite - Malachite green cation (C23H25N2)

Structural Information

Molecular Formula

C₂₃H₂₅N₂

SMILES

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

InChI

InChI=1S/C23H25N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17H,1-4H3/q+1

InChIKey

VFCNQNZNPKRXIT-UHFFFAOYSA-N

Compound name

[4-[[4-(dimethylamino)phenyl]-phenylmethylidene]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]+	330.20906	181.7
[M+Na]+	352.19100	198.2
[M+NH4]+	347.23560	192.0
[M+K]+	368.16494	189.4
[M-H]-	328.19450	192.5
[M+Na-2H]-	350.17645	194.2
[M]+	329.20123	187.7
[M]-	329.20233	187.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

330.20906

181.7

[M+Na]+

352.19100

198.2

[M+NH4]+

347.23560

192.0

[M+K]+

368.16494

189.4

[M-H]-

328.19450

192.5

[M+Na-2H]-

350.17645

194.2

[M]+

329.20123

187.7

[M]-

329.20233

187.7

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

Malachite green cation

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe