PubChemLite - N,n'-bis[2-(2-aminoethyl)octadecanoyl]decanediamide (C50H98N4O4)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCC(CCN)C(=O)NC(=O)CCCCCCCCC(=O)NC(=O)C(CCCCCCCCCCCCCCCC)CCN

InChI

InChI=1S/C50H98N4O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-33-37-45(41-43-51)49(57)53-47(55)39-35-31-27-28-32-36-40-48(56)54-50(58)46(42-44-52)38-34-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h45-46H,3-44,51-52H2,1-2H3,(H,53,55,57)(H,54,56,58)

InChIKey

LEFZMVIGYIZVQN-UHFFFAOYSA-N

Compound name

N,N'-bis[2-(2-aminoethyl)octadecanoyl]decanediamide

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]+	819.76608	305.3
[M+Na]+	841.74802	315.3
[M-H]-	817.75152	299.8
[M+NH4]+	836.79262	308.1
[M+K]+	857.72196	318.8
[M+H-H2O]+	801.75606	301.9
[M+HCOO]-	863.75700	288.6
[M+CH3COO]-	877.77265	317.6
[M+Na-2H]-	839.73347	285.8
[M]+	818.75825	295.0
[M]-	818.75935	295.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

819.76608

305.3

[M+Na]+

841.74802

315.3

[M-H]-

817.75152

299.8

[M+NH4]+

836.79262

308.1

[M+K]+

857.72196

318.8

[M+H-H2O]+

801.75606

301.9

[M+HCOO]-

863.75700

288.6

[M+CH3COO]-

877.77265

317.6

[M+Na-2H]-

839.73347

285.8

[M]+

818.75825

295.0

[M]-

818.75935

295.0

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

N,n'-bis[2-(2-aminoethyl)octadecanoyl]decanediamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe