CID 23644561

Rosiglitazone + simvastatin

Structural Information

Molecular Formula
C13H11N3O2
SMILES
COC1=CC\2=C(C=C1)NC(=O)/C2=C\C3C=NC=N3
InChI
InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-8H,1H3,(H,16,17)/b11-4-
InChIKey
KKGJVFQBVRACGR-WCIBSUBMSA-N
Compound name
(3Z)-3-(4H-imidazol-4-ylmethylidene)-5-methoxy-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.08513 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.092406 153.7
[M+Na]+ 264.074348 163.7
[M-H]- 240.077854 156.9
[M+NH4]+ 259.118953 171.2
[M+K]+ 280.048288 158.8
[M+H-H2O]+ 224.082390 145.6
[M+HCOO]- 286.083331 173.7
[M+CH3COO]- 300.098981 165.9
[M+Na-2H]- 262.059796 155.9
[M]+ 241.08458142 153.7
[M]- 241.08567858 153.7
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.