CID 3332615

Carbobenzyloxy-l-tyrosylglycylglycinamide

Structural Information

Molecular Formula
C21H24N4O6
SMILES
C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)O)C(=O)NCC(=O)NCC(=O)N
InChI
InChI=1S/C21H24N4O6/c22-18(27)11-23-19(28)12-24-20(29)17(10-14-6-8-16(26)9-7-14)25-21(30)31-13-15-4-2-1-3-5-15/h1-9,17,26H,10-13H2,(H2,22,27)(H,23,28)(H,24,29)(H,25,30)
InChIKey
ATUQMBJMFAUUET-UHFFFAOYSA-N
Compound name
benzyl N-[1-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.1696 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.17688 199.2
[M+Na]+ 451.15882 198.5
[M-H]- 427.16232 202.7
[M+NH4]+ 446.20342 205.2
[M+K]+ 467.13276 197.4
[M+H-H2O]+ 411.16686 188.8
[M+HCOO]- 473.16780 220.0
[M+CH3COO]- 487.18345 234.2
[M+Na-2H]- 449.14427 197.9
[M]+ 428.16905 197.5
[M]- 428.17015 197.5
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.