CID 4216512

Carbobenzyloxy-l-phenylalanylglycylglycinamide

Structural Information

Molecular Formula
C21H24N4O5
SMILES
C1=CC=C(C=C1)CC(C(=O)NCC(=O)NCC(=O)N)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C21H24N4O5/c22-18(26)12-23-19(27)13-24-20(28)17(11-15-7-3-1-4-8-15)25-21(29)30-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H2,22,26)(H,23,27)(H,24,28)(H,25,29)
InChIKey
BCJNKAUKGAKPMI-UHFFFAOYSA-N
Compound name
benzyl N-[1-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

412.17468 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.18196 197.0
[M+Na]+ 435.16390 196.2
[M-H]- 411.16740 201.6
[M+NH4]+ 430.20850 204.3
[M+K]+ 451.13784 194.8
[M+H-H2O]+ 395.17194 186.5
[M+HCOO]- 457.17288 219.2
[M+CH3COO]- 471.18853 232.5
[M+Na-2H]- 433.14935 196.7
[M]+ 412.17413 195.4
[M]- 412.17523 195.4
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

patents stripe