CID 370174

Nsc642918

Structural Information

Molecular Formula
C17H13NO2
SMILES
CN1C2=C(C=CC1=O)C=C(C=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H13NO2/c1-18-15-9-7-14(11-13(15)8-10-16(18)19)17(20)12-5-3-2-4-6-12/h2-11H,1H3
InChIKey
RNQWABMODVGKRW-UHFFFAOYSA-N
Compound name
6-benzoyl-1-methylquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.09464 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.101916 158.1
[M+Na]+ 286.083858 167.7
[M-H]- 262.087364 164.9
[M+NH4]+ 281.128463 174.3
[M+K]+ 302.057798 162.6
[M+H-H2O]+ 246.091900 149.4
[M+HCOO]- 308.092841 179.6
[M+CH3COO]- 322.108491 170.7
[M+Na-2H]- 284.069306 164.4
[M]+ 263.09409142 159.3
[M]- 263.09518858 159.3
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.