CID 135687092

4-hydroxy-3-(2-(1-methylethoxy)benzoyl)-2(1h)-quinolinone

Structural Information

Molecular Formula
C19H17NO4
SMILES
CC(C)OC1=CC=CC=C1C(=O)C2=C(C3=CC=CC=C3NC2=O)O
InChI
InChI=1S/C19H17NO4/c1-11(2)24-15-10-6-4-8-13(15)18(22)16-17(21)12-7-3-5-9-14(12)20-19(16)23/h3-11H,1-2H3,(H2,20,21,23)
InChIKey
CPSWNAVAURAWAS-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(2-propan-2-yloxybenzoyl)-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

323.11575 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.12303 173.8
[M+Na]+ 346.10497 181.7
[M-H]- 322.10847 177.8
[M+NH4]+ 341.14957 186.0
[M+K]+ 362.07891 176.7
[M+H-H2O]+ 306.11301 165.3
[M+HCOO]- 368.11395 190.8
[M+CH3COO]- 382.12960 206.0
[M+Na-2H]- 344.09042 176.4
[M]+ 323.11520 174.7
[M]- 323.11630 174.7
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