CID 135687088

3-benzoyl-6-butyl-4-hydroxy-2(1h)-quinolinone

Structural Information

Molecular Formula
C20H19NO3
SMILES
CCCCC1=CC2=C(C=C1)NC(=O)C(=C2O)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H19NO3/c1-2-3-7-13-10-11-16-15(12-13)19(23)17(20(24)21-16)18(22)14-8-5-4-6-9-14/h4-6,8-12H,2-3,7H2,1H3,(H2,21,23,24)
InChIKey
UURKQIBNHHKXQZ-UHFFFAOYSA-N
Compound name
3-benzoyl-6-butyl-4-hydroxy-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

321.1365 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.14378 175.7
[M+Na]+ 344.12572 183.8
[M-H]- 320.12922 179.5
[M+NH4]+ 339.17032 188.3
[M+K]+ 360.09966 177.2
[M+H-H2O]+ 304.13376 167.1
[M+HCOO]- 366.13470 193.3
[M+CH3COO]- 380.15035 205.8
[M+Na-2H]- 342.11117 178.8
[M]+ 321.13595 176.2
[M]- 321.13705 176.2
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