CID 274188

Carbobenzyloxyglycylglycylglycine benzyl ester

Structural Information

Molecular Formula
C21H23N3O6
SMILES
C1=CC=C(C=C1)COC(=O)CNC(=O)CNC(=O)CNC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C21H23N3O6/c25-18(23-13-20(27)29-14-16-7-3-1-4-8-16)11-22-19(26)12-24-21(28)30-15-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,22,26)(H,23,25)(H,24,28)
InChIKey
ISFYDJTZYYPHLD-UHFFFAOYSA-N
Compound name
benzyl 2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.1587 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.16598 196.3
[M+Na]+ 436.14792 196.4
[M-H]- 412.15142 201.3
[M+NH4]+ 431.19252 204.2
[M+K]+ 452.12186 195.1
[M+H-H2O]+ 396.15596 185.7
[M+HCOO]- 458.15690 219.2
[M+CH3COO]- 472.17255 228.0
[M+Na-2H]- 434.13337 197.7
[M]+ 413.15815 198.2
[M]- 413.15925 198.2
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.