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]+ 319.16524 178.2
[M+Na]+ 341.14718 180.4
[M-H]- 317.15068 182.2
[M+NH4]+ 336.19178 183.8
[M+K]+ 357.12112 182.0
[M+H-H2O]+ 301.15522 163.4
[M+HCOO]- 363.15616 195.9
[M+CH3COO]- 377.17181 212.9
[M+Na-2H]- 339.13263 176.6
[M]+ 318.15741 188.3
[M]- 318.15851 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.