CID 482381

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

Structural Information

Molecular Formula
C18H18N2O2
SMILES
CC1=CC=C(C=C1)NC(=O)N2[C@@H](CC2=O)CC3=CC=CC=C3
InChI
InChI=1S/C18H18N2O2/c1-13-7-9-15(10-8-13)19-18(22)20-16(12-17(20)21)11-14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3,(H,19,22)/t16-/m1/s1
InChIKey
YWTUEENQXCSZKO-MRXNPFEDSA-N
Compound name
(2R)-2-benzyl-N-(4-methylphenyl)-4-oxoazetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.13684 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 168.6
[M+Na]+ 317.12606 173.8
[M-H]- 293.12956 176.4
[M+NH4]+ 312.17066 175.7
[M+K]+ 333.10000 172.8
[M+H-H2O]+ 277.13410 153.6
[M+HCOO]- 339.13504 189.1
[M+CH3COO]- 353.15069 207.9
[M+Na-2H]- 315.11151 171.0
[M]+ 294.13629 176.2
[M]- 294.13739 176.2
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.