CID 135687113

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

Structural Information

Molecular Formula
C24H27NO3
SMILES
CCCCCCC1=CC2=C(C=C1)NC(=O)C(=C2O)C(=O)C3=CC=C(C=C3)CC
InChI
InChI=1S/C24H27NO3/c1-3-5-6-7-8-17-11-14-20-19(15-17)23(27)21(24(28)25-20)22(26)18-12-9-16(4-2)10-13-18/h9-15H,3-8H2,1-2H3,(H2,25,27,28)
InChIKey
GZUVDTICGLOIJQ-UHFFFAOYSA-N
Compound name
3-(4-ethylbenzoyl)-6-hexyl-4-hydroxy-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.1991 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.20638 194.0
[M+Na]+ 400.18832 201.0
[M-H]- 376.19182 197.3
[M+NH4]+ 395.23292 204.4
[M+K]+ 416.16226 193.7
[M+H-H2O]+ 360.19636 184.6
[M+HCOO]- 422.19730 210.0
[M+CH3COO]- 436.21295 218.9
[M+Na-2H]- 398.17377 194.1
[M]+ 377.19855 196.1
[M]- 377.19965 196.1
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.