CID 482404

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

Structural Information

Molecular Formula
C19H19ClN2O2
SMILES
CN(CC1=CC=C(C=C1)Cl)C(=O)N2[C@@H](CC2=O)CC3=CC=CC=C3
InChI
InChI=1S/C19H19ClN2O2/c1-21(13-15-7-9-16(20)10-8-15)19(24)22-17(12-18(22)23)11-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3/t17-/m1/s1
InChIKey
FRFQXRJSNIEPST-QGZVFWFLSA-N
Compound name
(2R)-2-benzyl-N-[(4-chlorophenyl)methyl]-N-methyl-4-oxoazetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.1135 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.120776 177.0
[M+Na]+ 365.102718 182.9
[M-H]- 341.106224 185.7
[M+NH4]+ 360.147323 183.7
[M+K]+ 381.076658 181.2
[M+H-H2O]+ 325.110760 162.3
[M+HCOO]- 387.111701 193.3
[M+CH3COO]- 401.127351 217.5
[M+Na-2H]- 363.088166 177.9
[M]+ 342.11295142 188.4
[M]- 342.11404858 188.4
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.