PubChemLite - Cer(d18:2/16:0) (C34H65NO3)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCC/C=C\CCC)O

InChI

InChI=1S/C34H65NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h7,9,27,29,32-33,36-37H,3-6,8,10-26,28,30-31H2,1-2H3,(H,35,38)/b9-7-,29-27+/t32-,33+/m0/s1

InChIKey

XXWRZIYYFPIQHE-XPAOSYCESA-N

Compound name

N-[(2S,3R,4E,14Z)-1,3-dihydroxyoctadeca-4,14-dien-2-yl]hexadecanamide

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]+	536.50374	250.2
[M+Na]+	558.48568	254.5
[M+NH4]+	553.53028	249.7
[M+K]+	574.45962	251.9
[M-H]-	534.48918	238.6
[M+Na-2H]-	556.47113	250.5
[M]+	535.49591	247.3
[M]-	535.49701	247.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

536.50374

250.2

[M+Na]+

558.48568

254.5

[M+NH4]+

553.53028

249.7

[M+K]+

574.45962

251.9

[M-H]-

534.48918

238.6

[M+Na-2H]-

556.47113

250.5

[M]+

535.49591

247.3

[M]-

535.49701

247.3

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

Cer(d18:2/16:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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