CID 482407

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

Structural Information

Molecular Formula
C21H23N3O3
SMILES
CC(=O)NC1=CC=C(C=C1)CN(C)C(=O)N2[C@@H](CC2=O)CC3=CC=CC=C3
InChI
InChI=1S/C21H23N3O3/c1-15(25)22-18-10-8-17(9-11-18)14-23(2)21(27)24-19(13-20(24)26)12-16-6-4-3-5-7-16/h3-11,19H,12-14H2,1-2H3,(H,22,25)/t19-/m1/s1
InChIKey
HZAYABBKLNEXGO-LJQANCHMSA-N
Compound name
(2R)-N-[(4-acetamidophenyl)methyl]-2-benzyl-N-methyl-4-oxoazetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.17395 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.181226 191.7
[M+Na]+ 388.163168 194.1
[M-H]- 364.166674 200.2
[M+NH4]+ 383.207773 195.6
[M+K]+ 404.137108 194.8
[M+H-H2O]+ 348.171210 174.9
[M+HCOO]- 410.172151 211.7
[M+CH3COO]- 424.187801 226.4
[M+Na-2H]- 386.148616 190.7
[M]+ 365.17340142 200.6
[M]- 365.17449858 200.6
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.