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
2
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]+ 369.34755 201.3
[M+Na]+ 391.32949 200.0
[M-H]- 367.33299 197.0
[M+NH4]+ 386.37409 212.3
[M+K]+ 407.30343 195.0
[M+H-H2O]+ 351.33753 192.9
[M+HCOO]- 413.33847 220.2
[M+CH3COO]- 427.35412 224.2
[M+Na-2H]- 389.31494 198.8
[M]+ 368.33972 205.7
[M]- 368.34082 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.