CID 4641875

N-(benzyloxycarbonyl)-n-(benzyloxycarboxamido)glycine ethyl ester

Structural Information

Molecular Formula
C20H22N2O6
SMILES
CCOC(=O)CN(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C20H22N2O6/c1-2-26-18(23)13-22(20(25)28-15-17-11-7-4-8-12-17)21-19(24)27-14-16-9-5-3-6-10-16/h3-12H,2,13-15H2,1H3,(H,21,24)
InChIKey
YQXVEKIURQVOTE-UHFFFAOYSA-N
Compound name
ethyl 2-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1478 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.155076 191.2
[M+Na]+ 409.137018 193.0
[M-H]- 385.140524 198.0
[M+NH4]+ 404.181623 201.5
[M+K]+ 425.110958 193.0
[M+H-H2O]+ 369.145060 180.9
[M+HCOO]- 431.146001 214.8
[M+CH3COO]- 445.161651 222.0
[M+Na-2H]- 407.122466 192.9
[M]+ 386.14725142 196.1
[M]- 386.14834858 196.1
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.