Ceramide (lipids) (C44H85NO9)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCC/C=C/C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)C(CCCCCCCCCCCCCC)O)O

InChI

InChI=1S/C44H85NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-37(47)36(35-53-44-42(51)41(50)40(49)39(34-46)54-44)45-43(52)38(48)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h30,32,36-42,44,46-51H,3-29,31,33-35H2,1-2H3,(H,45,52)/b32-30+

InChIKey

RHRWRRHWGAOQBC-NHQGMKOOSA-N

Compound name

2-hydroxy-N-[(E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocos-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]+	772.629716	289.5
[M+Na]+	794.611658	289.6
[M-H]-	770.615164	280.7
[M+NH4]+	789.656263	285.2
[M+K]+	810.585598	292.8
[M+H-H2O]+	754.619700	285.8
[M+HCOO]-	816.620641	285.3
[M+CH3COO]-	830.636291	289.4
[M+Na-2H]-	792.597106	266.1
[M]+	771.62189142	282.3
[M]-	771.62298858	282.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

772.629716

289.5

[M+Na]+

794.611658

289.6

[M-H]-

770.615164

280.7

[M+NH4]+

789.656263

285.2

[M+K]+

810.585598

292.8

[M+H-H2O]+

754.619700

285.8

[M+HCOO]-

816.620641

285.3

[M+CH3COO]-

830.636291

289.4

[M+Na-2H]-

792.597106

266.1

[M]+

771.62189142

282.3

[M]-

771.62298858

282.3

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

Ceramide (lipids)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe