PubChemLite - Inolitazone (C27H26N4O4S)

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC(=C1N)C)OC2=CC3=C(C=C2)N=C(N3C)COC4=CC=C(C=C4)CC5C(=O)NC(=O)S5

InChI

InChI=1S/C27H26N4O4S/c1-15-10-20(11-16(2)25(15)28)35-19-8-9-21-22(13-19)31(3)24(29-21)14-34-18-6-4-17(5-7-18)12-23-26(32)30-27(33)36-23/h4-11,13,23H,12,14,28H2,1-3H3,(H,30,32,33)

InChIKey

JCYNMRJCUYVDBC-UHFFFAOYSA-N

Compound name

5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

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]+	503.17476	223.7
[M+Na]+	525.15670	237.8
[M+NH4]+	520.20130	229.0
[M+K]+	541.13064	232.1
[M-H]-	501.16020	229.8
[M+Na-2H]-	523.14215	229.6
[M]+	502.16693	227.8
[M]-	502.16803	227.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

503.17476

223.7

[M+Na]+

525.15670

237.8

[M+NH4]+

520.20130

229.0

[M+K]+

541.13064

232.1

[M-H]-

501.16020

229.8

[M+Na-2H]-

523.14215

229.6

[M]+

502.16693

227.8

[M]-

502.16803

227.8

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

Inolitazone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe