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

literature stripe

Patent stripe

patents stripe