CID 478966

Chembl331210

Structural Information

Molecular Formula
C13H14N2O4
SMILES
CC(=O)O[C@@H]1CC(=O)N1C(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C13H14N2O4/c1-9(16)19-12-7-11(17)15(12)13(18)14-8-10-5-3-2-4-6-10/h2-6,12H,7-8H2,1H3,(H,14,18)/t12-/m1/s1
InChIKey
YDLDYGGQWOLFQJ-GFCCVEGCSA-N
Compound name
[(2R)-1-(benzylcarbamoyl)-4-oxoazetidin-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.09537 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.102646 158.3
[M+Na]+ 285.084588 162.8
[M-H]- 261.088094 163.2
[M+NH4]+ 280.129193 166.4
[M+K]+ 301.058528 164.7
[M+H-H2O]+ 245.092630 144.4
[M+HCOO]- 307.093571 178.5
[M+CH3COO]- 321.109221 199.8
[M+Na-2H]- 283.070036 160.2
[M]+ 262.09482142 167.6
[M]- 262.09591858 167.6
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.