CID 6451938

N,n'-(iminodiethylene)bispalmitamide monoacetate

Structural Information

Molecular Formula
C36H73N3O2
SMILES
CCCCCCCCCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C36H73N3O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(40)38-33-31-37-32-34-39-36(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-34H2,1-2H3,(H,38,40)(H,39,41)
InChIKey
XRZBZKOCTDSGGS-UHFFFAOYSA-N
Compound name
N-[2-[2-(hexadecanoylamino)ethylamino]ethyl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

579.57025 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.57753 278.7
[M+Na]+ 602.55947 287.9
[M-H]- 578.56297 268.0
[M+NH4]+ 597.60407 276.0
[M+K]+ 618.53341 286.2
[M+H-H2O]+ 562.56751 275.4
[M+HCOO]- 624.56845 277.8
[M+CH3COO]- 638.58410 272.8
[M+Na-2H]- 600.54492 260.7
[M]+ 579.56970 271.4
[M]- 579.57080 271.4
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

patents stripe