CID 135687089

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

Structural Information

Molecular Formula
C22H23NO3
SMILES
CCCCCCC1=CC2=C(C=C1)NC(=O)C(=C2O)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H23NO3/c1-2-3-4-6-9-15-12-13-18-17(14-15)21(25)19(22(26)23-18)20(24)16-10-7-5-8-11-16/h5,7-8,10-14H,2-4,6,9H2,1H3,(H2,23,25,26)
InChIKey
AEEZZQATQVVLLY-UHFFFAOYSA-N
Compound name
3-benzoyl-6-hexyl-4-hydroxy-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

349.1678 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.17508 185.5
[M+Na]+ 372.15702 200.3
[M+NH4]+ 367.20162 192.2
[M+K]+ 388.13096 191.8
[M-H]- 348.16052 188.8
[M+Na-2H]- 370.14247 192.0
[M]+ 349.16725 188.5
[M]- 349.16835 188.5
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