PubChemLite - Fk-788 (C26H25NO6)

Structural Information

Molecular Formula

SMILES

C1C[C@@](CC2=C1C(=CC=C2)OCC(=O)O)(COC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C26H25NO6/c28-24(29)17-32-23-13-7-8-19-16-26(31,15-14-22(19)23)18-33-25(30)27(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,31H,14-18H2,(H,28,29)/t26-/m1/s1

InChIKey

UZJAIYJXBYWENR-AREMUKBSSA-N

Compound name

2-[[(6R)-6-(diphenylcarbamoyloxymethyl)-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic 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]+	448.17546	206.2
[M+Na]+	470.15740	217.8
[M+NH4]+	465.20200	213.3
[M+K]+	486.13134	209.6
[M-H]-	446.16090	211.3
[M+Na-2H]-	468.14285	214.9
[M]+	447.16763	209.3
[M]-	447.16873	209.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

448.17546

206.2

[M+Na]+

470.15740

217.8

[M+NH4]+

465.20200

213.3

[M+K]+

486.13134

209.6

[M-H]-

446.16090

211.3

[M+Na-2H]-

468.14285

214.9

[M]+

447.16763

209.3

[M]-

447.16873

209.3

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

Fk-788

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe