PubChemLite - Basic violet 11 (C30H35N2O3)

Structural Information

Molecular Formula

SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)OCC

InChI

InChI=1S/C30H35N2O3/c1-6-31(7-2)21-15-17-25-27(19-21)35-28-20-22(32(8-3)9-4)16-18-26(28)29(25)23-13-11-12-14-24(23)30(33)34-10-5/h11-20H,6-10H2,1-5H3/q+1

InChIKey

CJHZYMDXCQLLFC-UHFFFAOYSA-N

Compound name

[6-(diethylamino)-9-(2-ethoxycarbonylphenyl)xanthen-3-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]+	472.27205	218.5
[M+Na]+	494.25399	235.2
[M+NH4]+	489.29859	226.9
[M+K]+	510.22793	226.3
[M-H]-	470.25749	228.6
[M+Na-2H]-	492.23944	225.9
[M]+	471.26422	224.3
[M]-	471.26532	224.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

472.27205

218.5

[M+Na]+

494.25399

235.2

[M+NH4]+

489.29859

226.9

[M+K]+

510.22793

226.3

[M-H]-

470.25749

228.6

[M+Na-2H]-

492.23944

225.9

[M]+

471.26422

224.3

[M]-

471.26532

224.3

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

Basic violet 11

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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