Boc-tyr(bzl)-osu (C25H28N2O7)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)ON3C(=O)CCC3=O

InChI

InChI=1S/C25H28N2O7/c1-25(2,3)33-24(31)26-20(23(30)34-27-21(28)13-14-22(27)29)15-17-9-11-19(12-10-17)32-16-18-7-5-4-6-8-18/h4-12,20H,13-16H2,1-3H3,(H,26,31)/t20-/m0/s1

InChIKey

GKLFTQJJYUFASW-FQEVSTJZSA-N

Compound name

(2,5-dioxopyrrolidin-1-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-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]+	469.196916	209.5
[M+Na]+	491.178858	211.6
[M-H]-	467.182364	217.3
[M+NH4]+	486.223463	216.6
[M+K]+	507.152798	210.2
[M+H-H2O]+	451.186900	199.9
[M+HCOO]-	513.187841	226.5
[M+CH3COO]-	527.203491	234.5
[M+Na-2H]-	489.164306	207.2
[M]+	468.18909142	213.1
[M]-	468.19018858	213.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

469.196916

209.5

[M+Na]+

491.178858

211.6

[M-H]-

467.182364

217.3

[M+NH4]+

486.223463

216.6

[M+K]+

507.152798

210.2

[M+H-H2O]+

451.186900

199.9

[M+HCOO]-

513.187841

226.5

[M+CH3COO]-

527.203491

234.5

[M+Na-2H]-

489.164306

207.2

[M]+

468.18909142

213.1

[M]-

468.19018858

213.1

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

Boc-tyr(bzl)-osu

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe