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]+ 366.18123 191.7
[M+Na]+ 388.16317 194.1
[M-H]- 364.16667 200.2
[M+NH4]+ 383.20777 195.6
[M+K]+ 404.13711 194.8
[M+H-H2O]+ 348.17121 174.9
[M+HCOO]- 410.17215 211.7
[M+CH3COO]- 424.18780 226.4
[M+Na-2H]- 386.14862 190.7
[M]+ 365.17340 200.6
[M]- 365.17450 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.