CID 135687073

4-hydroxy-3-(4-isopropylbenzoyl)-2-quinolone

Structural Information

Molecular Formula
C19H17NO3
SMILES
CC(C)C1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3NC2=O)O
InChI
InChI=1S/C19H17NO3/c1-11(2)12-7-9-13(10-8-12)17(21)16-18(22)14-5-3-4-6-15(14)20-19(16)23/h3-11H,1-2H3,(H2,20,22,23)
InChIKey
ZPRGYMVHPWPWEQ-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(4-propan-2-ylbenzoyl)-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

307.12085 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12813 170.7
[M+Na]+ 330.11007 178.9
[M-H]- 306.11357 174.8
[M+NH4]+ 325.15467 183.8
[M+K]+ 346.08401 173.2
[M+H-H2O]+ 290.11811 162.5
[M+HCOO]- 352.11905 187.6
[M+CH3COO]- 366.13470 203.8
[M+Na-2H]- 328.09552 173.2
[M]+ 307.12030 170.3
[M]- 307.12140 170.3
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

patents stripe