PubChemLite - Cer(d18:0/25:0) (C43H87NO3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C43H87NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-43(47)44-41(40-45)42(46)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2/h41-42,45-46H,3-40H2,1-2H3,(H,44,47)/t41-,42+/m0/s1

InChIKey

HCDLRJUFVJOBJP-ACEXITHZSA-N

Compound name

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

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]+	666.67588	285.5
[M+Na]+	688.65782	289.0
[M-H]-	664.66132	268.3
[M+NH4]+	683.70242	282.0
[M+K]+	704.63176	293.2
[M+H-H2O]+	648.66586	282.0
[M+HCOO]-	710.66680	279.6
[M+CH3COO]-	724.68245	280.8
[M+Na-2H]-	686.64327	264.6
[M]+	665.66805	280.8
[M]-	665.66915	280.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

666.67588

285.5

[M+Na]+

688.65782

289.0

[M-H]-

664.66132

268.3

[M+NH4]+

683.70242

282.0

[M+K]+

704.63176

293.2

[M+H-H2O]+

648.66586

282.0

[M+HCOO]-

710.66680

279.6

[M+CH3COO]-

724.68245

280.8

[M+Na-2H]-

686.64327

264.6

[M]+

665.66805

280.8

[M]-

665.66915

280.8

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

Cer(d18:0/25:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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