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]+ 291.13393 168.8
[M+Na]+ 313.11587 172.0
[M-H]- 289.11937 173.3
[M+NH4]+ 308.16047 175.6
[M+K]+ 329.08981 174.0
[M+H-H2O]+ 273.12391 154.5
[M+HCOO]- 335.12485 187.3
[M+CH3COO]- 349.14050 207.2
[M+Na-2H]- 311.10132 168.4
[M]+ 290.12610 178.3
[M]- 290.12720 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.