CID 5278763

Chembl196457

Structural Information

Molecular Formula
C19H20N2O2
SMILES
C1CN(C1=O)C(CC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3
InChI
InChI=1S/C19H20N2O2/c22-18-11-12-21(18)17(13-15-7-3-1-4-8-15)19(23)20-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,20,23)
InChIKey
HUADVIIJQLJCII-UHFFFAOYSA-N
Compound name
N-benzyl-2-(2-oxoazetidin-1-yl)-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.15247 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15975 173.1
[M+Na]+ 331.14169 175.6
[M-H]- 307.14519 179.9
[M+NH4]+ 326.18629 178.7
[M+K]+ 347.11563 174.9
[M+H-H2O]+ 291.14973 157.4
[M+HCOO]- 353.15067 192.2
[M+CH3COO]- 367.16632 210.0
[M+Na-2H]- 329.12714 175.2
[M]+ 308.15192 179.6
[M]- 308.15302 179.6
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

No patent data available for this compound.