PubChemLite - 37211-11-3 (C44H89NO5)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(C(CCCCCCCCCCCCCC)O)O)O

InChI

InChI=1S/C44H89NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(48)44(50)45-40(39-46)43(49)41(47)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-43,46-49H,3-39H2,1-2H3,(H,45,50)

InChIKey

XNLFLZXNXQVPII-UHFFFAOYSA-N

Compound name

2-hydroxy-N-(1,3,4-trihydroxyoctadecan-2-yl)hexacosanamide

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]+	712.68138	289.6
[M+Na]+	734.66332	291.7
[M+NH4]+	729.70792	290.2
[M+K]+	750.63726	291.9
[M-H]-	710.66682	277.2
[M+Na-2H]-	732.64877	286.6
[M]+	711.67355	286.5
[M]-	711.67465	286.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

712.68138

289.6

[M+Na]+

734.66332

291.7

[M+NH4]+

729.70792

290.2

[M+K]+

750.63726

291.9

[M-H]-

710.66682

277.2

[M+Na-2H]-

732.64877

286.6

[M]+

711.67355

286.5

[M]-

711.67465

286.5

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

37211-11-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe