CID 9976267

Linoleic acid diethanolamide

Structural Information

Molecular Formula
C22H41NO3
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)N(CCO)CCO
InChI
InChI=1S/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h6-7,9-10,24-25H,2-5,8,11-21H2,1H3/b7-6-,10-9-
InChIKey
CKNOIIXFUKKRIC-HZJYTTRNSA-N
Compound name
(9Z,12Z)-N,N-bis(2-hydroxyethyl)octadeca-9,12-dienamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1492
Patents

367.30865 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.31593 201.4
[M+Na]+ 390.29787 201.1
[M-H]- 366.30137 197.4
[M+NH4]+ 385.34247 212.8
[M+K]+ 406.27181 196.5
[M+H-H2O]+ 350.30591 193.6
[M+HCOO]- 412.30685 218.7
[M+CH3COO]- 426.32250 220.4
[M+Na-2H]- 388.28332 197.3
[M]+ 367.30810 206.6
[M]- 367.30920 206.6
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

patents stripe