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

35
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 187.8
[M+Na]+ 406.08318 197.8
[M-H]- 382.08668 193.7
[M+NH4]+ 401.12778 199.6
[M+K]+ 422.05712 191.2
[M+H-H2O]+ 366.09122 180.2
[M+HCOO]- 428.09216 201.5
[M+CH3COO]- 442.10781 197.6
[M+Na-2H]- 404.06863 185.5
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.