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]+ 343.12078 177.0
[M+Na]+ 365.10272 182.9
[M-H]- 341.10622 185.7
[M+NH4]+ 360.14732 183.7
[M+K]+ 381.07666 181.2
[M+H-H2O]+ 325.11076 162.3
[M+HCOO]- 387.11170 193.3
[M+CH3COO]- 401.12735 217.5
[M+Na-2H]- 363.08817 177.9
[M]+ 342.11295 188.4
[M]- 342.11405 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.