CID 6366470

Einecs 303-021-6

Structural Information

Molecular Formula
C22H42N2O2
SMILES
CCCCC/C=C/C/C=C/CCCCCCCC(=O)NCCNCCO
InChI
InChI=1S/C22H42N2O2/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/h6-7,9-10,23,25H,2-5,8,11-21H2,1H3,(H,24,26)/b7-6+,10-9+
InChIKey
VEIZWYNSQUGDCD-AVQMFFATSA-N
Compound name
(9E,12E)-N-[2-(2-hydroxyethylamino)ethyl]octadeca-9,12-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.32462 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.33190 200.1
[M+Na]+ 389.31384 199.2
[M-H]- 365.31734 196.0
[M+NH4]+ 384.35844 211.3
[M+K]+ 405.28778 193.6
[M+H-H2O]+ 349.32188 191.9
[M+HCOO]- 411.32282 219.2
[M+CH3COO]- 425.33847 222.8
[M+Na-2H]- 387.29929 197.6
[M]+ 366.32407 203.7
[M]- 366.32517 203.7
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.