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
2
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 277.9
[M+Na]+ 674.56942 285.8
[M-H]- 650.57292 267.6
[M+NH4]+ 669.61402 285.3
[M+K]+ 690.54336 288.0
[M+H-H2O]+ 634.57746 279.5
[M+HCOO]- 696.57840 277.9
[M+CH3COO]- 710.59405 281.2
[M+Na-2H]- 672.55487 261.6
[M]+ 651.57965 277.5
[M]- 651.58075 277.5
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.