PubChemLite - Basic yellow 21 (C22H25N2)

Structural Information

Molecular Formula

C₂₂H₂₅N₂

SMILES

CC1CC2=CC=CC=C2[N+]1=CC=C3C(C4=CC=CC=C4N3C)(C)C

InChI

InChI=1S/C22H25N2/c1-16-15-17-9-5-7-11-19(17)24(16)14-13-21-22(2,3)18-10-6-8-12-20(18)23(21)4/h5-14,16H,15H2,1-4H3/q+1

InChIKey

HRPFVPLQLXAHTA-UHFFFAOYSA-N

Compound name

1,3,3-trimethyl-2-[2-(2-methyl-2,3-dihydroindol-1-ium-1-ylidene)ethylidene]indole

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]+	318.20906	183.3
[M+Na]+	340.19100	193.0
[M-H]-	316.19450	189.9
[M+NH4]+	335.23560	203.0
[M+K]+	356.16494	179.8
[M+H-H2O]+	300.19904	177.6
[M+HCOO]-	362.19998	200.6
[M+CH3COO]-	376.21563	202.8
[M+Na-2H]-	338.17645	184.5
[M]+	317.20123	181.7
[M]-	317.20233	181.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

318.20906

183.3

[M+Na]+

340.19100

193.0

[M-H]-

316.19450

189.9

[M+NH4]+

335.23560

203.0

[M+K]+

356.16494

179.8

[M+H-H2O]+

300.19904

177.6

[M+HCOO]-

362.19998

200.6

[M+CH3COO]-

376.21563

202.8

[M+Na-2H]-

338.17645

184.5

[M]+

317.20123

181.7

[M]-

317.20233

181.7

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

Basic yellow 21

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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