CID 135687087

90182-06-2

Structural Information

Molecular Formula
C18H15NO3
SMILES
CC1=CC(=C2C(=C1)C(=C(C(=O)N2)C(=O)C3=CC=CC=C3)O)C
InChI
InChI=1S/C18H15NO3/c1-10-8-11(2)15-13(9-10)17(21)14(18(22)19-15)16(20)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,19,21,22)
InChIKey
QUEVDFUKZSPAFK-UHFFFAOYSA-N
Compound name
3-benzoyl-4-hydroxy-6,8-dimethyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

293.1052 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.112476 166.5
[M+Na]+ 316.094418 176.4
[M-H]- 292.097924 171.2
[M+NH4]+ 311.139023 180.6
[M+K]+ 332.068358 170.4
[M+H-H2O]+ 276.102460 158.6
[M+HCOO]- 338.103401 184.8
[M+CH3COO]- 352.119051 201.2
[M+Na-2H]- 314.079866 170.0
[M]+ 293.10465142 166.8
[M]- 293.10574858 166.8
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