PubChemLite - Cer(d20:0/26:0(2oh)) (C46H93NO4)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCCCC)O)O

InChI

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

InChIKey

UGCVVUIFSSIJJV-ZWBBIZCESA-N

Compound name

N-[(2S,3R)-1,3-dihydroxyicosan-2-yl]-2-hydroxyhexacosanamide

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	294.3
[M+Na]+	746.69967	296.3
[M-H]-	722.70317	277.7
[M+NH4]+	741.74427	290.9
[M+K]+	762.67361	302.2
[M+H-H2O]+	706.70771	290.1
[M+HCOO]-	768.70865	283.3
[M+CH3COO]-	782.72430	288.7
[M+Na-2H]-	744.68512	271.9
[M]+	723.70990	288.7
[M]-	723.71100	288.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

724.71773

294.3

[M+Na]+

746.69967

296.3

[M-H]-

722.70317

277.7

[M+NH4]+

741.74427

290.9

[M+K]+

762.67361

302.2

[M+H-H2O]+

706.70771

290.1

[M+HCOO]-

768.70865

283.3

[M+CH3COO]-

782.72430

288.7

[M+Na-2H]-

744.68512

271.9

[M]+

723.70990

288.7

[M]-

723.71100

288.7

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

Cer(d20:0/26:0(2oh))

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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