CID 294885

(n-benzoyl)glycylglycine methyl ester

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 155.7
[M+Na]+ 273.08457 160.0
[M-H]- 249.08807 158.9
[M+NH4]+ 268.12917 171.6
[M+K]+ 289.05851 159.3
[M+H-H2O]+ 233.09261 148.2
[M+HCOO]- 295.09355 179.8
[M+CH3COO]- 309.10920 196.6
[M+Na-2H]- 271.07002 159.2
[M]+ 250.09480 156.6
[M]- 250.09590 156.6
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.