PubChemLite - Araliacerebroside (C40H77NO10)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCC/C=C/CCCCCCCCC)O)O)O

InChI

InChI=1S/C40H77NO10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(43)35(45)31(30-50-40-38(48)37(47)36(46)34(29-42)51-40)41-39(49)33(44)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,31-38,40,42-48H,3-18,20,22-30H2,1-2H3,(H,41,49)/b21-19+

InChIKey

AYBHLNMQTQBJBX-XUTLUUPISA-N

Compound name

N-[(E)-3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]-2-hydroxyhexadecanamide

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]+	732.56203	279.0
[M+Na]+	754.54397	279.9
[M+NH4]+	749.58857	277.3
[M+K]+	770.51791	279.7
[M-H]-	730.54747	273.1
[M+Na-2H]-	752.52942	277.8
[M]+	731.55420	277.0
[M]-	731.55530	277.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

732.56203

279.0

[M+Na]+

754.54397

279.9

[M+NH4]+

749.58857

277.3

[M+K]+

770.51791

279.7

[M-H]-

730.54747

273.1

[M+Na-2H]-

752.52942

277.8

[M]+

731.55420

277.0

[M]-

731.55530

277.0

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

Araliacerebroside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe