CID 82132

7709-17-3

Structural Information

Molecular Formula
C40H80N2O3
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCN(CCO)C(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C40H80N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)41-35-36-42(37-38-43)40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43H,3-38H2,1-2H3,(H,41,44)
InChIKey
BUXIQCHPJNBMRH-UHFFFAOYSA-N
Compound name
N-[2-[2-hydroxyethyl(octadecanoyl)amino]ethyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

636.6169 Da
Monoisotopic Mass

15.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 637.62418 281.2
[M+Na]+ 659.60612 286.7
[M+NH4]+ 654.65072 282.6
[M+K]+ 675.58006 284.9
[M-H]- 635.60962 268.7
[M+Na-2H]- 657.59157 279.7
[M]+ 636.61635 278.9
[M]- 636.61745 278.9
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

patents stripe