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	185.0
[M+Na]+	352.19100	188.4
[M-H]-	328.19450	196.6
[M+NH4]+	347.23560	198.4
[M+K]+	368.16494	178.5
[M+H-H2O]+	312.19904	177.4
[M+HCOO]-	374.19998	208.0
[M+CH3COO]-	388.21563	214.9
[M+Na-2H]-	350.17645	188.2
[M]+	329.20123	181.5
[M]-	329.20233	181.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

330.20906

185.0

[M+Na]+

352.19100

188.4

[M-H]-

328.19450

196.6

[M+NH4]+

347.23560

198.4

[M+K]+

368.16494

178.5

[M+H-H2O]+

312.19904

177.4

[M+HCOO]-

374.19998

208.0

[M+CH3COO]-

388.21563

214.9

[M+Na-2H]-

350.17645

188.2

[M]+

329.20123

181.5

[M]-

329.20233

181.5

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