CID 135687116

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

Structural Information

Molecular Formula
C24H27NO3
SMILES
CCCCCCCCC1=CC2=C(C=C1)NC(=O)C(=C2O)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H27NO3/c1-2-3-4-5-6-8-11-17-14-15-20-19(16-17)23(27)21(24(28)25-20)22(26)18-12-9-7-10-13-18/h7,9-10,12-16H,2-6,8,11H2,1H3,(H2,25,27,28)
InChIKey
ZPAUQTIAGRAJBU-UHFFFAOYSA-N
Compound name
3-benzoyl-4-hydroxy-6-octyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.1991 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.20638 193.9
[M+Na]+ 400.18832 200.0
[M-H]- 376.19182 196.8
[M+NH4]+ 395.23292 204.0
[M+K]+ 416.16226 192.6
[M+H-H2O]+ 360.19636 184.3
[M+HCOO]- 422.19730 209.9
[M+CH3COO]- 436.21295 217.6
[M+Na-2H]- 398.17377 194.7
[M]+ 377.19855 195.5
[M]- 377.19965 195.5
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

No patent data available for this compound.