CID 459601

Rebamipide impurity 47

Structural Information

Molecular Formula
C11H11NO2
SMILES
COCC1=CC(=O)NC2=CC=CC=C21
InChI
InChI=1S/C11H11NO2/c1-14-7-8-6-11(13)12-10-5-3-2-4-9(8)10/h2-6H,7H2,1H3,(H,12,13)
InChIKey
JZUZSVLVKGQFBA-UHFFFAOYSA-N
Compound name
4-(methoxymethyl)-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

189.07898 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 137.5
[M+Na]+ 212.06820 147.2
[M-H]- 188.07170 139.8
[M+NH4]+ 207.11280 156.6
[M+K]+ 228.04214 143.4
[M+H-H2O]+ 172.07624 131.0
[M+HCOO]- 234.07718 159.1
[M+CH3COO]- 248.09283 180.4
[M+Na-2H]- 210.05365 146.1
[M]+ 189.07843 138.5
[M]- 189.07953 138.5
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.