CID 79654

Hexadecanamide, n,n'-1,2-ethanediylbis-

Structural Information

Molecular Formula
C34H68N2O2
SMILES
CCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C34H68N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)35-31-32-36-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3,(H,35,37)(H,36,38)
InChIKey
UAXZKOFYXXDTFH-UHFFFAOYSA-N
Compound name
N-[2-(hexadecanoylamino)ethyl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

999
Patents

536.5281 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.535376 263.7
[M+Na]+ 559.517318 272.4
[M-H]- 535.520824 251.5
[M+NH4]+ 554.561923 262.0
[M+K]+ 575.491258 270.8
[M+H-H2O]+ 519.525360 261.7
[M+HCOO]- 581.526301 265.7
[M+CH3COO]- 595.541951 262.2
[M+Na-2H]- 557.502766 247.3
[M]+ 536.52755142 259.1
[M]- 536.52864858 259.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe