PubChemLite - Brilliant green (C27H33N2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C27H33N2/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4/h9-21H,5-8H2,1-4H3/q+1

InChIKey

HXCILVUBKWANLN-UHFFFAOYSA-N

Compound name

[4-[[4-(diethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium

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]+	386.27165	203.8
[M+Na]+	408.25359	205.3
[M-H]-	384.25709	214.4
[M+NH4]+	403.29819	214.8
[M+K]+	424.22753	194.5
[M+H-H2O]+	368.26163	195.2
[M+HCOO]-	430.26257	225.3
[M+CH3COO]-	444.27822	226.6
[M+Na-2H]-	406.23904	204.7
[M]+	385.26382	201.5
[M]-	385.26492	201.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

386.27165

203.8

[M+Na]+

408.25359

205.3

[M-H]-

384.25709

214.4

[M+NH4]+

403.29819

214.8

[M+K]+

424.22753

194.5

[M+H-H2O]+

368.26163

195.2

[M+HCOO]-

430.26257

225.3

[M+CH3COO]-

444.27822

226.6

[M+Na-2H]-

406.23904

204.7

[M]+

385.26382

201.5

[M]-

385.26492

201.5

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

Brilliant green

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe