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]+ 263.10265 158.5
[M+Na]+ 285.08459 163.9
[M-H]- 261.08809 163.8
[M+NH4]+ 280.12919 167.0
[M+K]+ 301.05853 165.8
[M+H-H2O]+ 245.09263 144.9
[M+HCOO]- 307.09357 178.7
[M+CH3COO]- 321.10922 201.1
[M+Na-2H]- 283.07004 159.7
[M]+ 262.09482 168.3
[M]- 262.09592 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.