CID 459684

Alpha-benzoyl-n-3-quinolylacetamide

Structural Information

Molecular Formula
C18H14N2O2
SMILES
C1=CC=C(C=C1)C(=O)CC(=O)NC2=CC3=CC=CC=C3N=C2
InChI
InChI=1S/C18H14N2O2/c21-17(13-6-2-1-3-7-13)11-18(22)20-15-10-14-8-4-5-9-16(14)19-12-15/h1-10,12H,11H2,(H,20,22)
InChIKey
CPQQZWBLOOQLAX-UHFFFAOYSA-N
Compound name
3-oxo-3-phenyl-N-quinolin-3-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.10553 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11281 166.0
[M+Na]+ 313.09475 172.1
[M-H]- 289.09825 171.8
[M+NH4]+ 308.13935 179.9
[M+K]+ 329.06869 167.3
[M+H-H2O]+ 273.10279 156.6
[M+HCOO]- 335.10373 187.2
[M+CH3COO]- 349.11938 204.0
[M+Na-2H]- 311.08020 172.7
[M]+ 290.10498 165.4
[M]- 290.10608 165.4
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.