PubChemLite - Gz-793a (C26H37NO4)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)CC[C@H]2CCC[C@H](N2C[C@H](CO)O)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C26H37NO4/c1-30-25-14-8-20(9-15-25)6-12-22-4-3-5-23(27(22)18-24(29)19-28)13-7-21-10-16-26(31-2)17-11-21/h8-11,14-17,22-24,28-29H,3-7,12-13,18-19H2,1-2H3/t22-,23+,24-/m1/s1

InChIKey

ZUFHEOXKGIZZGE-TZRRMPRUSA-N

Compound name

(2R)-3-[(2S,6R)-2,6-bis[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]propane-1,2-diol

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]+	428.27953	208.6
[M+Na]+	450.26147	209.9
[M-H]-	426.26497	212.3
[M+NH4]+	445.30607	215.0
[M+K]+	466.23541	204.7
[M+H-H2O]+	410.26951	197.6
[M+HCOO]-	472.27045	221.0
[M+CH3COO]-	486.28610	226.2
[M+Na-2H]-	448.24692	204.9
[M]+	427.27170	208.1
[M]-	427.27280	208.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

428.27953

208.6

[M+Na]+

450.26147

209.9

[M-H]-

426.26497

212.3

[M+NH4]+

445.30607

215.0

[M+K]+

466.23541

204.7

[M+H-H2O]+

410.26951

197.6

[M+HCOO]-

472.27045

221.0

[M+CH3COO]-

486.28610

226.2

[M+Na-2H]-

448.24692

204.9

[M]+

427.27170

208.1

[M]-

427.27280

208.1

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

Gz-793a

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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