PubChemLite - Carbobenzyloxy-o-benzyl-l-tyrosine n-hydroxysuccinimide ester (C28H26N2O7)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Adduct

m/z

Predicted CCS (Å²)

[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 (Å²) per adduct calculated using CCSbase.

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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