PubChemLite - (2s)-2-(9h-fluoren-9-ylmethoxycarbonylamino)-3-[hydroxy(phenylmethoxy)phosphoryl]oxypropanoic acid (C25H24NO8P)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)COP(=O)(O)OC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C25H24NO8P/c27-24(28)23(16-34-35(30,31)33-14-17-8-2-1-3-9-17)26-25(29)32-15-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16H2,(H,26,29)(H,27,28)(H,30,31)/t23-/m0/s1

InChIKey

ZBPUWGDUVAAWJY-QHCPKHFHSA-N

Compound name

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[hydroxy(phenylmethoxy)phosphoryl]oxypropanoic 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]+	498.13124	211.6
[M+Na]+	520.11318	212.7
[M-H]-	496.11668	215.2
[M+NH4]+	515.15778	219.3
[M+K]+	536.08712	211.5
[M+H-H2O]+	480.12122	200.8
[M+HCOO]-	542.12216	232.1
[M+CH3COO]-	556.13781	236.3
[M+Na-2H]-	518.09863	211.4
[M]+	497.12341	216.0
[M]-	497.12451	216.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

498.13124

211.6

[M+Na]+

520.11318

212.7

[M-H]-

496.11668

215.2

[M+NH4]+

515.15778

219.3

[M+K]+

536.08712

211.5

[M+H-H2O]+

480.12122

200.8

[M+HCOO]-

542.12216

232.1

[M+CH3COO]-

556.13781

236.3

[M+Na-2H]-

518.09863

211.4

[M]+

497.12341

216.0

[M]-

497.12451

216.0

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

(2s)-2-(9h-fluoren-9-ylmethoxycarbonylamino)-3-[hydroxy(phenylmethoxy)phosphoryl]oxypropanoic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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