CID 9832447

Inolitazone

Structural Information

Molecular Formula
C27H26N4O4S
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

compound 2d structure
4
Annotation Hits

28
References

407
Patents

502.16748 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.17476 222.2
[M+Na]+ 525.15670 232.1
[M-H]- 501.16020 232.5
[M+NH4]+ 520.20130 229.4
[M+K]+ 541.13064 224.4
[M+H-H2O]+ 485.16474 213.1
[M+HCOO]- 547.16568 235.8
[M+CH3COO]- 561.18133 230.2
[M+Na-2H]- 523.14215 216.0
[M]+ 502.16693 228.1
[M]- 502.16803 228.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.