CID 44149541

112576-48-4

Structural Information

Molecular Formula
C42H85N3O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCN(CC)CCNC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C42H85N3O2/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(46)43-37-39-45(6-3)40-38-44-42(47)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h4-40H2,1-3H3,(H,43,46)(H,44,47)
InChIKey
WXSBUYNEMUZDAP-UHFFFAOYSA-N
Compound name
N-[2-[ethyl-[2-(octadecanoylamino)ethyl]amino]ethyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

663.6642 Da
Monoisotopic Mass

16.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 664.67148 297.6
[M+Na]+ 686.65342 307.3
[M-H]- 662.65692 286.6
[M+NH4]+ 681.69802 298.6
[M+K]+ 702.62736 308.5
[M+H-H2O]+ 646.66146 295.4
[M+HCOO]- 708.66240 293.8
[M+CH3COO]- 722.67805 292.3
[M+Na-2H]- 684.63887 278.6
[M]+ 663.66365 291.5
[M]- 663.66475 291.5
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.