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

6
Patents

307.12085 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.128126 170.7
[M+Na]+ 330.110068 178.9
[M-H]- 306.113574 174.8
[M+NH4]+ 325.154673 183.8
[M+K]+ 346.084008 173.2
[M+H-H2O]+ 290.118110 162.5
[M+HCOO]- 352.119051 187.6
[M+CH3COO]- 366.134701 203.8
[M+Na-2H]- 328.095516 173.2
[M]+ 307.12030142 170.3
[M]- 307.12139858 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