CID 12074181

N-demethyl rivoglitazone

Structural Information

Molecular Formula
C19H17N3O4S
SMILES
COC1=CC2=C(C=C1)N=C(N2)COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4
InChI
InChI=1S/C19H17N3O4S/c1-25-13-6-7-14-15(9-13)21-17(20-14)10-26-12-4-2-11(3-5-12)8-16-18(23)22-19(24)27-16/h2-7,9,16H,8,10H2,1H3,(H,20,21)(H,22,23,24)
InChIKey
CUADXVBMFGPUEU-UHFFFAOYSA-N
Compound name
5-[[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

27
Patents

383.09396 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.10124 189.3
[M+Na]+ 406.08318 201.8
[M+NH4]+ 401.12778 195.1
[M+K]+ 422.05712 197.2
[M-H]- 382.08668 191.9
[M+Na-2H]- 404.06863 194.2
[M]+ 383.09341 192.0
[M]- 383.09451 192.0
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