PubChemLite - Fmoc-tyr(po3bzl2)-oh (C38H34NO8P)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)COP(=O)(OCC2=CC=CC=C2)OC3=CC=C(C=C3)C[C@@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C38H34NO8P/c40-37(41)36(39-38(42)44-26-35-33-17-9-7-15-31(33)32-16-8-10-18-34(32)35)23-27-19-21-30(22-20-27)47-48(43,45-24-28-11-3-1-4-12-28)46-25-29-13-5-2-6-14-29/h1-22,35-36H,23-26H2,(H,39,42)(H,40,41)/t36-/m0/s1

InChIKey

JSTYRDUOBZALLV-BHVANESWSA-N

Compound name

(2S)-3-[4-bis(phenylmethoxy)phosphoryloxyphenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

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]+	664.20948	257.4
[M+Na]+	686.19142	268.5
[M+NH4]+	681.23602	260.8
[M+K]+	702.16536	263.1
[M-H]-	662.19492	263.6
[M+Na-2H]-	684.17687	264.5
[M]+	663.20165	260.5
[M]-	663.20275	260.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

664.20948

257.4

[M+Na]+

686.19142

268.5

[M+NH4]+

681.23602

260.8

[M+K]+

702.16536

263.1

[M-H]-

662.19492

263.6

[M+Na-2H]-

684.17687

264.5

[M]+

663.20165

260.5

[M]-

663.20275

260.5

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

Fmoc-tyr(po3bzl2)-oh

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe