CID 5278770

Methyl 2-[2-(2-oxo-4-phenyl-azetidin-1-yl)pentanoylamino]acetate

Structural Information

Molecular Formula
C17H22N2O4
SMILES
CCCC(C(=O)NCC(=O)OC)N1C(CC1=O)C2=CC=CC=C2
InChI
InChI=1S/C17H22N2O4/c1-3-7-13(17(22)18-11-16(21)23-2)19-14(10-15(19)20)12-8-5-4-6-9-12/h4-6,8-9,13-14H,3,7,10-11H2,1-2H3,(H,18,22)
InChIKey
GXWZCJWGZNRWIF-UHFFFAOYSA-N
Compound name
methyl 2-[2-(2-oxo-4-phenylazetidin-1-yl)pentanoylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.15796 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.165236 178.2
[M+Na]+ 341.147178 180.4
[M-H]- 317.150684 182.2
[M+NH4]+ 336.191783 183.8
[M+K]+ 357.121118 182.0
[M+H-H2O]+ 301.155220 163.4
[M+HCOO]- 363.156161 195.9
[M+CH3COO]- 377.171811 212.9
[M+Na-2H]- 339.132626 176.6
[M]+ 318.15741142 188.3
[M]- 318.15850858 188.3
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.