PubChemLite - C16 ceramide (C34H67NO3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C34H67NO3/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/h27,29,32-33,36-37H,3-26,28,30-31H2,1-2H3,(H,35,38)/b29-27+/t32-,33+/m0/s1

InChIKey

YDNKGFDKKRUKPY-TURZORIXSA-N

Compound name

N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-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]+	538.51938	252.7
[M+Na]+	560.50132	256.6
[M+NH4]+	555.54592	252.3
[M+K]+	576.47526	254.1
[M-H]-	536.50482	240.3
[M+Na-2H]-	558.48677	252.6
[M]+	537.51155	249.5
[M]-	537.51265	249.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

538.51938

252.7

[M+Na]+

560.50132

256.6

[M+NH4]+

555.54592

252.3

[M+K]+

576.47526

254.1

[M-H]-

536.50482

240.3

[M+Na-2H]-

558.48677

252.6

[M]+

537.51155

249.5

[M]-

537.51265

249.5

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

C16 ceramide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe