CID 20837971

Ns00060360

Structural Information

Molecular Formula
C23H46N2O2
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NCCN(C)CCO
InChI
InChI=1S/C23H46N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)24-19-20-25(2)21-22-26/h10-11,26H,3-9,12-22H2,1-2H3,(H,24,27)/b11-10-
InChIKey
JXULLUXZQOLWHW-KHPPLWFESA-N
Compound name
(Z)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]octadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.35593 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.363206 207.4
[M+Na]+ 405.345148 205.9
[M-H]- 381.348654 204.5
[M+NH4]+ 400.389753 218.6
[M+K]+ 421.319088 202.0
[M+H-H2O]+ 365.353190 198.7
[M+HCOO]- 427.354131 226.5
[M+CH3COO]- 441.369781 230.4
[M+Na-2H]- 403.330596 203.5
[M]+ 382.35538142 213.4
[M]- 382.35647858 213.4
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.