PubChemLite - Cer(d18:0/h24:0) (C42H85NO4)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCO)O

InChI

InChI=1S/C42H85NO4/c1-2-3-4-5-6-7-8-18-21-24-27-30-33-36-41(46)40(39-45)43-42(47)37-34-31-28-25-22-19-16-14-12-10-9-11-13-15-17-20-23-26-29-32-35-38-44/h40-41,44-46H,2-39H2,1H3,(H,43,47)/t40-,41+/m0/s1

InChIKey

ZQGNZSWBCQGWAO-WVILEFPPSA-N

Compound name

N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-24-hydroxytetracosanamide

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]+	668.65518	283.1
[M+Na]+	690.63712	285.3
[M-H]-	666.64062	266.5
[M+NH4]+	685.68172	278.1
[M+K]+	706.61106	289.0
[M+H-H2O]+	650.64516	278.7
[M+HCOO]-	712.64610	275.9
[M+CH3COO]-	726.66175	277.4
[M+Na-2H]-	688.62257	261.5
[M]+	667.64735	277.3
[M]-	667.64845	277.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

668.65518

283.1

[M+Na]+

690.63712

285.3

[M-H]-

666.64062

266.5

[M+NH4]+

685.68172

278.1

[M+K]+

706.61106

289.0

[M+H-H2O]+

650.64516

278.7

[M+HCOO]-

712.64610

275.9

[M+CH3COO]-

726.66175

277.4

[M+Na-2H]-

688.62257

261.5

[M]+

667.64735

277.3

[M]-

667.64845

277.3

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

Cer(d18:0/h24:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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