CID 296919

1-(2-phenylethyl)-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C13H13NO
SMILES
C1=CC=C(C=C1)CCN2C=CC=CC2=O
InChI
InChI=1S/C13H13NO/c15-13-8-4-5-10-14(13)11-9-12-6-2-1-3-7-12/h1-8,10H,9,11H2
InChIKey
BVHQLHNISFFNNO-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

199.09972 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.10700 142.0
[M+Na]+ 222.08894 150.3
[M-H]- 198.09244 147.4
[M+NH4]+ 217.13354 159.7
[M+K]+ 238.06288 146.4
[M+H-H2O]+ 182.09698 134.0
[M+HCOO]- 244.09792 165.8
[M+CH3COO]- 258.11357 184.1
[M+Na-2H]- 220.07439 150.0
[M]+ 199.09917 142.3
[M]- 199.10027 142.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe