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 187.7
[M+Na]+ 393.14208 196.6
[M+NH4]+ 388.18668 192.4
[M+K]+ 409.11602 191.7
[M-H]- 369.14558 190.4
[M+Na-2H]- 391.12753 193.8
[M]+ 370.15231 189.3
[M]- 370.15341 189.3
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.