CID 478970

Chembl123455

Structural Information

Molecular Formula
C13H14N2O4
SMILES
C[C@H]1[C@H](N(C1=O)C(=O)NC2=CC=CC=C2)OC(=O)C
InChI
InChI=1S/C13H14N2O4/c1-8-11(17)15(12(8)19-9(2)16)13(18)14-10-6-4-3-5-7-10/h3-8,12H,1-2H3,(H,14,18)/t8-,12-/m1/s1
InChIKey
QRERBJZQUMNBBT-PRHODGIISA-N
Compound name
[(2R,3S)-3-methyl-4-oxo-1-(phenylcarbamoyl)azetidin-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.09537 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.102646 158.5
[M+Na]+ 285.084588 163.9
[M-H]- 261.088094 163.8
[M+NH4]+ 280.129193 167.0
[M+K]+ 301.058528 165.8
[M+H-H2O]+ 245.092630 144.9
[M+HCOO]- 307.093571 178.7
[M+CH3COO]- 321.109221 201.1
[M+Na-2H]- 283.070036 159.7
[M]+ 262.09482142 168.3
[M]- 262.09591858 168.3
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.