CID 14373255

6-benzoyl-1,2,3,4-tetrahydroquinolin-2-one

Structural Information

Molecular Formula
C16H13NO2
SMILES
C1CC(=O)NC2=C1C=C(C=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H13NO2/c18-15-9-7-12-10-13(6-8-14(12)17-15)16(19)11-4-2-1-3-5-11/h1-6,8,10H,7,9H2,(H,17,18)
InChIKey
BGGBOXVSGGCWMO-UHFFFAOYSA-N
Compound name
6-benzoyl-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

251.09464 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10192 155.6
[M+Na]+ 274.08386 162.2
[M-H]- 250.08736 160.0
[M+NH4]+ 269.12846 171.1
[M+K]+ 290.05780 156.9
[M+H-H2O]+ 234.09190 147.3
[M+HCOO]- 296.09284 173.1
[M+CH3COO]- 310.10849 166.5
[M+Na-2H]- 272.06931 160.8
[M]+ 251.09409 151.4
[M]- 251.09519 151.4
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

patents stripe