CID 5278773

Glycine, n-[(2-oxo-1-azetidinyl)phenylacetyl]-, methyl ester

Structural Information

Molecular Formula
C14H16N2O4
SMILES
COC(=O)CNC(=O)C(C1=CC=CC=C1)N2CCC2=O
InChI
InChI=1S/C14H16N2O4/c1-20-12(18)9-15-14(19)13(16-8-7-11(16)17)10-5-3-2-4-6-10/h2-6,13H,7-9H2,1H3,(H,15,19)
InChIKey
LMRZBUPGCZJSCE-UHFFFAOYSA-N
Compound name
methyl 2-[[2-(2-oxoazetidin-1-yl)-2-phenylacetyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.111 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11828 163.9
[M+Na]+ 299.10022 166.7
[M-H]- 275.10372 168.3
[M+NH4]+ 294.14482 171.0
[M+K]+ 315.07416 168.9
[M+H-H2O]+ 259.10826 149.6
[M+HCOO]- 321.10920 182.8
[M+CH3COO]- 335.12485 203.1
[M+Na-2H]- 297.08567 164.7
[M]+ 276.11045 172.7
[M]- 276.11155 172.7
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.