CID 5278762

Glycine, n-[(3-methyl-2-oxo-1-azetidinyl)phenylacetyl]-, methyl ester

Structural Information

Molecular Formula
C15H18N2O4
SMILES
CC1CN(C1=O)C(C2=CC=CC=C2)C(=O)NCC(=O)OC
InChI
InChI=1S/C15H18N2O4/c1-10-9-17(15(10)20)13(11-6-4-3-5-7-11)14(19)16-8-12(18)21-2/h3-7,10,13H,8-9H2,1-2H3,(H,16,19)
InChIKey
UAPUQZADSPMAPK-UHFFFAOYSA-N
Compound name
methyl 2-[[2-(3-methyl-2-oxoazetidin-1-yl)-2-phenylacetyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.12665 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.133926 168.8
[M+Na]+ 313.115868 172.0
[M-H]- 289.119374 173.3
[M+NH4]+ 308.160473 175.6
[M+K]+ 329.089808 174.0
[M+H-H2O]+ 273.123910 154.5
[M+HCOO]- 335.124851 187.3
[M+CH3COO]- 349.140501 207.2
[M+Na-2H]- 311.101316 168.4
[M]+ 290.12610142 178.3
[M]- 290.12719858 178.3
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.