CID 6366471

Einecs 303-022-1

Structural Information

Molecular Formula
C22H40N2O2
SMILES
CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)NCCNCCO
InChI
InChI=1S/C22H40N2O2/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/h3-4,6-7,9-10,23,25H,2,5,8,11-21H2,1H3,(H,24,26)/b4-3+,7-6+,10-9+
InChIKey
CILZLMIUIYKBRQ-IUQGRGSQSA-N
Compound name
(9E,12E,15E)-N-[2-(2-hydroxyethylamino)ethyl]octadeca-9,12,15-trienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.309 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.31628 198.9
[M+Na]+ 387.29822 198.4
[M-H]- 363.30172 194.9
[M+NH4]+ 382.34282 210.2
[M+K]+ 403.27216 192.2
[M+H-H2O]+ 347.30626 190.8
[M+HCOO]- 409.30720 218.3
[M+CH3COO]- 423.32285 221.4
[M+Na-2H]- 385.28367 196.5
[M]+ 364.30845 201.8
[M]- 364.30955 201.8
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.