CID 21137746

Rivoglitazone metabolite m10

Structural Information

Molecular Formula
C20H23N3O5S
SMILES
CN1C2=C(C=CC(=C2)OC)N=C1COC3=CC=C(C=C3)CC(C(=O)N)S(=O)(=O)C
InChI
InChI=1S/C20H23N3O5S/c1-23-17-11-15(27-2)8-9-16(17)22-19(23)12-28-14-6-4-13(5-7-14)10-18(20(21)24)29(3,25)26/h4-9,11,18H,10,12H2,1-3H3,(H2,21,24)
InChIKey
CFOSYNLCBUVBPB-UHFFFAOYSA-N
Compound name
3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfonylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

417.13583 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.14311 198.5
[M+Na]+ 440.12505 206.8
[M-H]- 416.12855 204.0
[M+NH4]+ 435.16965 208.8
[M+K]+ 456.09899 202.8
[M+H-H2O]+ 400.13309 190.2
[M+HCOO]- 462.13403 213.3
[M+CH3COO]- 476.14968 225.6
[M+Na-2H]- 438.11050 198.8
[M]+ 417.13528 207.0
[M]- 417.13638 207.0
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.