PubChemLite - Astrazon brilliant red 4g (C23H26N3)

Structural Information

Molecular Formula

SMILES

CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)CCC#N)C)C

InChI

InChI=1S/C23H26N3/c1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24/h5-6,8-15H,7,17H2,1-4H3/q+1

InChIKey

JUTWSMKHSDVLSS-UHFFFAOYSA-N

Compound name

3-[N-methyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile

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]+	345.21996	193.6
[M+Na]+	367.20190	204.2
[M-H]-	343.20540	199.5
[M+NH4]+	362.24650	208.8
[M+K]+	383.17584	190.0
[M+H-H2O]+	327.20994	180.5
[M+HCOO]-	389.21088	211.5
[M+CH3COO]-	403.22653	222.9
[M+Na-2H]-	365.18735	196.1
[M]+	344.21213	190.3
[M]-	344.21323	190.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

345.21996

193.6

[M+Na]+

367.20190

204.2

[M-H]-

343.20540

199.5

[M+NH4]+

362.24650

208.8

[M+K]+

383.17584

190.0

[M+H-H2O]+

327.20994

180.5

[M+HCOO]-

389.21088

211.5

[M+CH3COO]-

403.22653

222.9

[M+Na-2H]-

365.18735

196.1

[M]+

344.21213

190.3

[M]-

344.21323

190.3

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

Astrazon brilliant red 4g

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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