CID 6912138

Einecs 280-035-8

Structural Information

Molecular Formula
C23H46N2O2
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NCCNCCCO
InChI
InChI=1S/C23H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23(27)25-21-20-24-19-17-22-26/h9-10,24,26H,2-8,11-22H2,1H3,(H,25,27)/b10-9-
InChIKey
GSIGXBCGJDGCOV-KTKRTIGZSA-N
Compound name
(Z)-N-[2-(3-hydroxypropylamino)ethyl]octadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.35593 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.363206 205.5
[M+Na]+ 405.345148 203.8
[M-H]- 381.348654 201.0
[M+NH4]+ 400.389753 216.0
[M+K]+ 421.319088 198.5
[M+H-H2O]+ 365.353190 196.9
[M+HCOO]- 427.354131 224.0
[M+CH3COO]- 441.369781 227.2
[M+Na-2H]- 403.330596 202.5
[M]+ 382.35538142 210.2
[M]- 382.35647858 210.2
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.