CID 4098635

Carbobenzyloxy-o-benzyl-l-tyrosine n-hydroxysuccinimide ester

Structural Information

Molecular Formula
C28H26N2O7
SMILES
C1CC(=O)N(C1=O)OC(=O)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C28H26N2O7/c31-25-15-16-26(32)30(25)37-27(33)24(29-28(34)36-19-22-9-5-2-6-10-22)17-20-11-13-23(14-12-20)35-18-21-7-3-1-4-8-21/h1-14,24H,15-19H2,(H,29,34)
InChIKey
YFQGJQWXLNZGIA-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 2-(phenylmethoxycarbonylamino)-3-(4-phenylmethoxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.174 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.18128 217.1
[M+Na]+ 525.16322 218.1
[M-H]- 501.16672 227.4
[M+NH4]+ 520.20782 221.6
[M+K]+ 541.13716 215.4
[M+H-H2O]+ 485.17126 205.0
[M+HCOO]- 547.17220 235.5
[M+CH3COO]- 561.18785 239.7
[M+Na-2H]- 523.14867 214.0
[M]+ 502.17345 219.2
[M]- 502.17455 219.2
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.