CID 104214

52497-24-2

Structural Information

Molecular Formula
C40H81NO3
SMILES
CCCCCCCCCCCCCCCCCCN(CCO)CCOC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C40H81NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(36-38-42)37-39-44-40(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42H,3-39H2,1-2H3
InChIKey
KHYNLKWLPONHOE-UHFFFAOYSA-N
Compound name
2-[2-hydroxyethyl(octadecyl)amino]ethyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

623.62164 Da
Monoisotopic Mass

16.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 624.62892 276.7
[M+Na]+ 646.61086 279.2
[M+NH4]+ 641.65546 276.7
[M+K]+ 662.58480 278.3
[M-H]- 622.61436 259.8
[M+Na-2H]- 644.59631 273.8
[M]+ 623.62109 272.6
[M]- 623.62219 272.6
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