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	311.7
[M+Na]+	841.74802	322.1
[M+NH4]+	836.79262	316.2
[M+K]+	857.72196	321.5
[M-H]-	817.75152	306.8
[M+Na-2H]-	839.73347	310.9
[M]+	818.75825	312.8
[M]-	818.75935	312.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

819.76608

311.7

[M+Na]+

841.74802

322.1

[M+NH4]+

836.79262

316.2

[M+K]+

857.72196

321.5

[M-H]-

817.75152

306.8

[M+Na-2H]-

839.73347

310.9

[M]+

818.75825

312.8

[M]-

818.75935

312.8

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