PubChemLite - Basic red 18 ion (C19H25ClN5O2)

Structural Information

Molecular Formula

SMILES

CCN(CC[N+](C)(C)C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H25ClN5O2/c1-5-23(12-13-25(2,3)4)16-8-6-15(7-9-16)21-22-19-11-10-17(24(26)27)14-18(19)20/h6-11,14H,5,12-13H2,1-4H3/q+1

InChIKey

TZXATTMVGZDPHM-UHFFFAOYSA-N

Compound name

2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium

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]+	391.17696	194.8
[M+Na]+	413.15890	198.5
[M-H]-	389.16240	205.6
[M+NH4]+	408.20350	207.0
[M+K]+	429.13284	186.6
[M+H-H2O]+	373.16694	192.5
[M+HCOO]-	435.16788	219.9
[M+CH3COO]-	449.18353	227.8
[M+Na-2H]-	411.14435	203.6
[M]+	390.16913	198.3
[M]-	390.17023	198.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

391.17696

194.8

[M+Na]+

413.15890

198.5

[M-H]-

389.16240

205.6

[M+NH4]+

408.20350

207.0

[M+K]+

429.13284

186.6

[M+H-H2O]+

373.16694

192.5

[M+HCOO]-

435.16788

219.9

[M+CH3COO]-

449.18353

227.8

[M+Na-2H]-

411.14435

203.6

[M]+

390.16913

198.3

[M]-

390.17023

198.3

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

Basic red 18 ion

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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