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 184.9
[M+Na]+ 372.15702 191.9
[M-H]- 348.16052 188.2
[M+NH4]+ 367.20162 196.2
[M+K]+ 388.13096 184.9
[M+H-H2O]+ 332.16506 175.7
[M+HCOO]- 394.16600 201.6
[M+CH3COO]- 408.18165 211.7
[M+Na-2H]- 370.14247 186.8
[M]+ 349.16725 185.9
[M]- 349.16835 185.9
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