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]+ 242.09241 153.7
[M+Na]+ 264.07435 163.7
[M-H]- 240.07785 156.9
[M+NH4]+ 259.11895 171.2
[M+K]+ 280.04829 158.8
[M+H-H2O]+ 224.08239 145.6
[M+HCOO]- 286.08333 173.7
[M+CH3COO]- 300.09898 165.9
[M+Na-2H]- 262.05980 155.9
[M]+ 241.08458 153.7
[M]- 241.08568 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.