CID 111716

68900-94-7

Structural Information

Molecular Formula
C40H80N2O3
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCNCCOC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C40H80N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(43)42-36-35-41-37-38-45-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41H,3-38H2,1-2H3,(H,42,43)
InChIKey
IMHKFOMOEOAPQF-UHFFFAOYSA-N
Compound name
2-[2-(octadecanoylamino)ethylamino]ethyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

636.6169 Da
Monoisotopic Mass

15.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 637.62418 280.6
[M+Na]+ 659.60612 286.1
[M+NH4]+ 654.65072 281.2
[M+K]+ 675.58006 284.3
[M-H]- 635.60962 266.9
[M+Na-2H]- 657.59157 278.8
[M]+ 636.61635 277.9
[M]- 636.61745 277.9
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.