CID 297843

Carbobenzyloxyglycylsarcosine benzyl ester

Structural Information

Molecular Formula
C20H22N2O5
SMILES
CN(CC(=O)OCC1=CC=CC=C1)C(=O)CNC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C20H22N2O5/c1-22(13-19(24)26-14-16-8-4-2-5-9-16)18(23)12-21-20(25)27-15-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3,(H,21,25)
InChIKey
MCUXNOOYMRNWDH-UHFFFAOYSA-N
Compound name
benzyl 2-[methyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.15286 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.16014 188.4
[M+Na]+ 393.14208 190.3
[M-H]- 369.14558 195.2
[M+NH4]+ 388.18668 199.4
[M+K]+ 409.11602 189.5
[M+H-H2O]+ 353.15012 178.4
[M+HCOO]- 415.15106 211.9
[M+CH3COO]- 429.16671 221.2
[M+Na-2H]- 391.12753 189.9
[M]+ 370.15231 192.1
[M]- 370.15341 192.1
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.