CID 482377

(2r)-2-benzyl-4-oxo-n-[(1r)-1-phenylpropyl]azetidine-1-carboxamide

Structural Information

Molecular Formula
C20H22N2O2
SMILES
CC[C@H](C1=CC=CC=C1)NC(=O)N2[C@@H](CC2=O)CC3=CC=CC=C3
InChI
InChI=1S/C20H22N2O2/c1-2-18(16-11-7-4-8-12-16)21-20(24)22-17(14-19(22)23)13-15-9-5-3-6-10-15/h3-12,17-18H,2,13-14H2,1H3,(H,21,24)/t17-,18-/m1/s1
InChIKey
JKJXOVVIYARTBL-QZTJIDSGSA-N
Compound name
(2R)-2-benzyl-4-oxo-N-[(1R)-1-phenylpropyl]azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.16812 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 178.7
[M+Na]+ 345.15734 181.7
[M-H]- 321.16084 185.8
[M+NH4]+ 340.20194 184.1
[M+K]+ 361.13128 180.8
[M+H-H2O]+ 305.16538 163.0
[M+HCOO]- 367.16632 197.4
[M+CH3COO]- 381.18197 213.4
[M+Na-2H]- 343.14279 179.4
[M]+ 322.16757 185.9
[M]- 322.16867 185.9
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.