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]+ 387.15508 191.2
[M+Na]+ 409.13702 193.0
[M-H]- 385.14052 198.0
[M+NH4]+ 404.18162 201.5
[M+K]+ 425.11096 193.0
[M+H-H2O]+ 369.14506 180.9
[M+HCOO]- 431.14600 214.8
[M+CH3COO]- 445.16165 222.0
[M+Na-2H]- 407.12247 192.9
[M]+ 386.14725 196.1
[M]- 386.14835 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.