CID 482379

(2r)-2-benzyl-4-oxo-n-phenethyl-azetidine-1-carboxamide

Structural Information

Molecular Formula
C19H20N2O2
SMILES
C1[C@H](N(C1=O)C(=O)NCCC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C19H20N2O2/c22-18-14-17(13-16-9-5-2-6-10-16)21(18)19(23)20-12-11-15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,20,23)/t17-/m1/s1
InChIKey
NVQYETKLHIBPLH-QGZVFWFLSA-N
Compound name
(2R)-2-benzyl-4-oxo-N-(2-phenylethyl)azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.15247 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.159746 172.4
[M+Na]+ 331.141688 176.3
[M-H]- 307.145194 179.6
[M+NH4]+ 326.186293 178.6
[M+K]+ 347.115628 175.0
[M+H-H2O]+ 291.149730 156.9
[M+HCOO]- 353.150671 192.6
[M+CH3COO]- 367.166321 209.7
[M+Na-2H]- 329.127136 175.1
[M]+ 308.15192142 179.9
[M]- 308.15301858 179.9
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.