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
3
Annotation Hits

0
References

1464
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 199.8
[M+Na]+ 390.29787 204.3
[M+NH4]+ 385.34247 209.7
[M+K]+ 406.27181 197.2
[M-H]- 366.30137 196.6
[M+Na-2H]- 388.28332 197.4
[M]+ 367.30810 198.8
[M]- 367.30920 198.8
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

patents stripe