CID 294885

Methyl 2-[(2-benzamidoacetyl)amino]acetate

Structural Information

Molecular Formula
C12H14N2O4
SMILES
COC(=O)CNC(=O)CNC(=O)C1=CC=CC=C1
InChI
InChI=1S/C12H14N2O4/c1-18-11(16)8-13-10(15)7-14-12(17)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,15)(H,14,17)
InChIKey
KGAHZTBJDOHMHW-UHFFFAOYSA-N
Compound name
methyl 2-[(2-benzamidoacetyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.09535 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10263 156.6
[M+Na]+ 273.08457 164.5
[M+NH4]+ 268.12917 161.7
[M+K]+ 289.05851 160.8
[M-H]- 249.08807 156.8
[M+Na-2H]- 271.07002 160.5
[M]+ 250.09480 157.1
[M]- 250.09590 157.1
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.