PubChemLite - C18 ceramide (C36H71NO3)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O

InChI

InChI=1S/C36H71NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,34-35,38-39H,3-28,30,32-33H2,1-2H3,(H,37,40)/b31-29+/t34-,35+/m0/s1

InChIKey

VODZWWMEJITOND-NXCSZAMKSA-N

Compound name

N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]octadecanamide

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]+	566.55068	259.3
[M+Na]+	588.53262	263.0
[M+NH4]+	583.57722	258.8
[M+K]+	604.50656	260.9
[M-H]-	564.53612	246.3
[M+Na-2H]-	586.51807	258.5
[M]+	565.54285	256.0
[M]-	565.54395	256.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

566.55068

259.3

[M+Na]+

588.53262

263.0

[M+NH4]+

583.57722

258.8

[M+K]+

604.50656

260.9

[M-H]-

564.53612

246.3

[M+Na-2H]-

586.51807

258.5

[M]+

565.54285

256.0

[M]-

565.54395

256.0

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

C18 ceramide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe