CID 5181497

Unii-lu0u471z2m

Structural Information

Molecular Formula
C40H77NO5
SMILES
CCCCCCCCCCCC(=O)N(CCOC(=O)CCCCCCCCCCC)CCOC(=O)CCCCCCCCCCC
InChI
InChI=1S/C40H77NO5/c1-4-7-10-13-16-19-22-25-28-31-38(42)41(34-36-45-39(43)32-29-26-23-20-17-14-11-8-5-2)35-37-46-40(44)33-30-27-24-21-18-15-12-9-6-3/h4-37H2,1-3H3
InChIKey
OHGIKYNYMQWJRT-UHFFFAOYSA-N
Compound name
2-[dodecanoyl(2-dodecanoyloxyethyl)amino]ethyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

651.5802 Da
Monoisotopic Mass

15.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 652.58748 280.1
[M+Na]+ 674.56942 282.7
[M+NH4]+ 669.61402 283.5
[M+K]+ 690.54336 282.7
[M-H]- 650.57292 267.8
[M+Na-2H]- 672.55487 278.7
[M]+ 651.57965 277.8
[M]- 651.58075 277.8
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.