PubChemLite - 123202-72-2 (C32H29N4)

Structural Information

Molecular Formula

SMILES

CC1=NC2=C3C(=C(/C(=C/C4=CC=C(C=C4)N(C)C)/N3C=CC2=[N+]1C)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H29N4/c1-22-33-31-27(35(22)4)19-20-36-28(21-23-15-17-26(18-16-23)34(2)3)29(24-11-7-5-8-12-24)30(32(31)36)25-13-9-6-10-14-25/h5-21H,1-4H3/q+1

InChIKey

VXRNFSWUNIYPAA-UHFFFAOYSA-N

Compound name

4-[(Z)-(2,3-dimethyl-8,9-diphenylimidazo[4,5-g]indolizin-3-ium-7-ylidene)methyl]-N,N-dimethylaniline

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]+	470.24651	226.5
[M+Na]+	492.22845	236.3
[M-H]-	468.23195	240.1
[M+NH4]+	487.27305	235.7
[M+K]+	508.20239	221.3
[M+H-H2O]+	452.23649	215.9
[M+HCOO]-	514.23743	247.0
[M+CH3COO]-	528.25308	235.0
[M+Na-2H]-	490.21390	227.1
[M]+	469.23868	230.4
[M]-	469.23978	230.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

470.24651

226.5

[M+Na]+

492.22845

236.3

[M-H]-

468.23195

240.1

[M+NH4]+

487.27305

235.7

[M+K]+

508.20239

221.3

[M+H-H2O]+

452.23649

215.9

[M+HCOO]-

514.23743

247.0

[M+CH3COO]-

528.25308

235.0

[M+Na-2H]-

490.21390

227.1

[M]+

469.23868

230.4

[M]-

469.23978

230.4

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

123202-72-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe