CID 111716

N-(octadecanoyloxyethylaminoethyl)stearamide

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 285.1
[M+Na]+ 659.60612 292.2
[M-H]- 635.60962 271.3
[M+NH4]+ 654.65072 284.0
[M+K]+ 675.58006 293.0
[M+H-H2O]+ 619.61416 282.6
[M+HCOO]- 681.61510 284.9
[M+CH3COO]- 695.63075 280.6
[M+Na-2H]- 657.59157 265.9
[M]+ 636.61635 280.2
[M]- 636.61745 280.2
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.