CID 135687115

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

Structural Information

Molecular Formula
C21H21NO3
SMILES
CCCCCC1=CC2=C(C=C1)NC(=O)C(=C2O)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H21NO3/c1-2-3-5-8-14-11-12-17-16(13-14)20(24)18(21(25)22-17)19(23)15-9-6-4-7-10-15/h4,6-7,9-13H,2-3,5,8H2,1H3,(H2,22,24,25)
InChIKey
IZDSKRKCYCOCQF-UHFFFAOYSA-N
Compound name
3-benzoyl-4-hydroxy-6-pentyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.15213 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.15941 180.3
[M+Na]+ 358.14135 187.9
[M-H]- 334.14485 183.9
[M+NH4]+ 353.18595 192.2
[M+K]+ 374.11529 181.1
[M+H-H2O]+ 318.14939 171.4
[M+HCOO]- 380.15033 197.5
[M+CH3COO]- 394.16598 208.7
[M+Na-2H]- 356.12680 182.8
[M]+ 335.15158 181.1
[M]- 335.15268 181.1
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.