CID 21137753

O-demethyl rivoglitazone

Structural Information

Molecular Formula
C19H17N3O4S
SMILES
CN1C2=C(C=CC(=C2)O)N=C1COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4
InChI
InChI=1S/C19H17N3O4S/c1-22-15-9-12(23)4-7-14(15)20-17(22)10-26-13-5-2-11(3-6-13)8-16-18(24)21-19(25)27-16/h2-7,9,16,23H,8,10H2,1H3,(H,21,24,25)
InChIKey
OIEQYSVXVNGAOF-UHFFFAOYSA-N
Compound name
5-[[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

383.09396 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.10124 188.6
[M+Na]+ 406.08318 199.4
[M-H]- 382.08668 194.9
[M+NH4]+ 401.12778 200.7
[M+K]+ 422.05712 192.8
[M+H-H2O]+ 366.09122 181.4
[M+HCOO]- 428.09216 202.2
[M+CH3COO]- 442.10781 198.7
[M+Na-2H]- 404.06863 185.6
[M]+ 383.09341 193.3
[M]- 383.09451 193.3
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.