PubChemLite - N,n'-ethylenebis(montanamide) (C58H116N2O2)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C58H116N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-57(61)59-55-56-60-58(62)54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-56H2,1-2H3,(H,59,61)(H,60,62)

InChIKey

LRTGNJNPQZYCSX-UHFFFAOYSA-N

Compound name

N-[2-(octacosanoylamino)ethyl]octacosanamide

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]+	873.91098	338.3
[M+Na]+	895.89292	343.0
[M-H]-	871.89642	317.2
[M+NH4]+	890.93752	336.3
[M+K]+	911.86686	351.3
[M+H-H2O]+	855.90096	334.0
[M+HCOO]-	917.90190	331.7
[M+CH3COO]-	931.91755	326.0
[M+Na-2H]-	893.87837	312.7
[M]+	872.90315	333.7
[M]-	872.90425	333.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

873.91098

338.3

[M+Na]+

895.89292

343.0

[M-H]-

871.89642

317.2

[M+NH4]+

890.93752

336.3

[M+K]+

911.86686

351.3

[M+H-H2O]+

855.90096

334.0

[M+HCOO]-

917.90190

331.7

[M+CH3COO]-

931.91755

326.0

[M+Na-2H]-

893.87837

312.7

[M]+

872.90315

333.7

[M]-

872.90425

333.7

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

N,n'-ethylenebis(montanamide)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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