CID 44151174

85187-61-7

Structural Information

Molecular Formula
C42H83N3O3
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCC)C(=O)C
InChI
InChI=1S/C42H83N3O3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(47)43-36-38-45(40(3)46)39-37-44-42(48)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-39H2,1-3H3,(H,43,47)(H,44,48)
InChIKey
VCQYHVFEMBIZQT-UHFFFAOYSA-N
Compound name
N-[2-[acetyl-[2-(octadecanoylamino)ethyl]amino]ethyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

677.64343 Da
Monoisotopic Mass

15.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 678.65071 293.1
[M+Na]+ 700.63265 301.1
[M+NH4]+ 695.67725 296.4
[M+K]+ 716.60659 299.0
[M-H]- 676.63615 284.0
[M+Na-2H]- 698.61810 292.2
[M]+ 677.64288 292.4
[M]- 677.64398 292.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.