CID 6441664

Einecs 256-808-0

Structural Information

Molecular Formula
C22H44N2O2
SMILES
CCCCCCCCCCCCCCC/C=C/C(=O)NCCNCCO
InChI
InChI=1S/C22H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25/h16-17,23,25H,2-15,18-21H2,1H3,(H,24,26)/b17-16+
InChIKey
UJAJTVMCLPKTRI-WUKNDPDISA-N
Compound name
(E)-N-[2-(2-hydroxyethylamino)ethyl]octadec-2-enamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

368.34027 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.347546 201.3
[M+Na]+ 391.329488 200.0
[M-H]- 367.332994 197.0
[M+NH4]+ 386.374093 212.3
[M+K]+ 407.303428 195.0
[M+H-H2O]+ 351.337530 192.9
[M+HCOO]- 413.338471 220.2
[M+CH3COO]- 427.354121 224.2
[M+Na-2H]- 389.314936 198.8
[M]+ 368.33972142 205.7
[M]- 368.34081858 205.7
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.