CID 135687084

90182-03-9

Structural Information

Molecular Formula
C17H13NO3
SMILES
CC1=CC2=C(C=C1)C(=C(C(=O)N2)C(=O)C3=CC=CC=C3)O
InChI
InChI=1S/C17H13NO3/c1-10-7-8-12-13(9-10)18-17(21)14(16(12)20)15(19)11-5-3-2-4-6-11/h2-9H,1H3,(H2,18,20,21)
InChIKey
CHYRNISKZUHWLA-UHFFFAOYSA-N
Compound name
3-benzoyl-4-hydroxy-7-methyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

279.08954 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.096816 161.9
[M+Na]+ 302.078758 171.4
[M-H]- 278.082264 166.4
[M+NH4]+ 297.123363 176.3
[M+K]+ 318.052698 165.5
[M+H-H2O]+ 262.086800 154.0
[M+HCOO]- 324.087741 180.6
[M+CH3COO]- 338.103391 173.4
[M+Na-2H]- 300.064206 166.7
[M]+ 279.08899142 161.5
[M]- 279.09008858 161.5
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

patents stripe