PubChemLite - Chebi:189068 (C24H45NO7)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)NC=O)O

InChI

InChI=1S/C24H45NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(27)19(25-18-26)16-31-24-23(30)22(29)21(28)17-32-24/h14-15,18-24,27-30H,2-13,16-17H2,1H3,(H,25,26)/b15-14+/t19-,20+,21+,22-,23+,24+/m0/s1

InChIKey

VFBHIYHJKUAKLM-WSPPKIGHSA-N

Compound name

N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoctadec-4-en-2-yl]formamide

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]+	460.32688	217.2
[M+Na]+	482.30882	214.6
[M-H]-	458.31232	212.7
[M+NH4]+	477.35342	221.1
[M+K]+	498.28276	211.5
[M+H-H2O]+	442.31686	208.8
[M+HCOO]-	504.31780	226.1
[M+CH3COO]-	518.33345	231.1
[M+Na-2H]-	480.29427	210.4
[M]+	459.31905	219.2
[M]-	459.32015	219.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

460.32688

217.2

[M+Na]+

482.30882

214.6

[M-H]-

458.31232

212.7

[M+NH4]+

477.35342

221.1

[M+K]+

498.28276

211.5

[M+H-H2O]+

442.31686

208.8

[M+HCOO]-

504.31780

226.1

[M+CH3COO]-

518.33345

231.1

[M+Na-2H]-

480.29427

210.4

[M]+

459.31905

219.2

[M]-

459.32015

219.2

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

Chebi:189068

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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