PubChemLite - Ceramide d (c24) (C42H85NO6)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCCC[C@H]([C@@H](C(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)O)O

InChI

InChI=1S/C42H85NO6/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-39(46)41(48)42(49)43-37(36-44)40(47)38(45)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h37-41,44-48H,3-36H2,1-2H3,(H,43,49)/t37-,38+,39+,40-,41-/m0/s1

InChIKey

CTYJERKZRBECCL-HBXSEFHESA-N

Compound name

(2S,3R)-2,3-dihydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]tetracosanamide

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]+	700.64498	281.1
[M+Na]+	722.62692	281.7
[M-H]-	698.63042	269.3
[M+NH4]+	717.67152	277.8
[M+K]+	738.60086	287.1
[M+H-H2O]+	682.63496	276.4
[M+HCOO]-	744.63590	263.5
[M+CH3COO]-	758.65155	278.6
[M+Na-2H]-	720.61237	259.7
[M]+	699.63715	273.9
[M]-	699.63825	273.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

700.64498

281.1

[M+Na]+

722.62692

281.7

[M-H]-

698.63042

269.3

[M+NH4]+

717.67152

277.8

[M+K]+

738.60086

287.1

[M+H-H2O]+

682.63496

276.4

[M+HCOO]-

744.63590

263.5

[M+CH3COO]-

758.65155

278.6

[M+Na-2H]-

720.61237

259.7

[M]+

699.63715

273.9

[M]-

699.63825

273.9

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

Ceramide d (c24)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe