CID 478959

Chembl122296

Structural Information

Molecular Formula
C14H16N2O4
SMILES
C[C@@H]1[C@H](N(C1=O)C(=O)NCC2=CC=CC=C2)OC(=O)C
InChI
InChI=1S/C14H16N2O4/c1-9-12(18)16(13(9)20-10(2)17)14(19)15-8-11-6-4-3-5-7-11/h3-7,9,13H,8H2,1-2H3,(H,15,19)/t9-,13+/m0/s1
InChIKey
VDLCVJDQYNSMSN-TVQRCGJNSA-N
Compound name
[(2R,3R)-1-(benzylcarbamoyl)-3-methyl-4-oxoazetidin-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.111 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11828 163.2
[M+Na]+ 299.10022 168.1
[M-H]- 275.10372 168.3
[M+NH4]+ 294.14482 171.1
[M+K]+ 315.07416 169.8
[M+H-H2O]+ 259.10826 149.4
[M+HCOO]- 321.10920 183.1
[M+CH3COO]- 335.12485 204.0
[M+Na-2H]- 297.08567 163.9
[M]+ 276.11045 173.3
[M]- 276.11155 173.3
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.