PubChemLite - Cer(t20:0/26:0) (C46H93NO4)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C46H93NO4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-45(50)47-43(42-48)46(51)44(49)40-38-36-34-32-30-28-18-16-14-12-10-8-6-4-2/h43-44,46,48-49,51H,3-42H2,1-2H3,(H,47,50)/t43-,44+,46-/m0/s1

InChIKey

XXCJZFVZHPNILU-DTLWHLCPSA-N

Compound name

N-[(2S,3S,4R)-1,3,4-trihydroxyicosan-2-yl]hexacosanamide

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]+	724.71773	294.7
[M+Na]+	746.69967	296.8
[M+NH4]+	741.74427	294.6
[M+K]+	762.67361	297.1
[M-H]-	722.70317	279.7
[M+Na-2H]-	744.68512	290.8
[M]+	723.70990	290.9
[M]-	723.71100	290.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

724.71773

294.7

[M+Na]+

746.69967

296.8

[M+NH4]+

741.74427

294.6

[M+K]+

762.67361

297.1

[M-H]-

722.70317

279.7

[M+Na-2H]-

744.68512

290.8

[M]+

723.70990

290.9

[M]-

723.71100

290.9

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

Cer(t20:0/26:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe