CID 24762162

Nervonoyl ethanolamide

Structural Information

Molecular Formula
C26H51NO2
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)NCCO
InChI
InChI=1S/C26H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(29)27-24-25-28/h9-10,28H,2-8,11-25H2,1H3,(H,27,29)/b10-9-
InChIKey
LISKWSFNVJTQKH-KTKRTIGZSA-N
Compound name
(Z)-N-(2-hydroxyethyl)tetracos-15-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

59
Patents

409.39197 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.39925 216.0
[M+Na]+ 432.38119 214.0
[M-H]- 408.38469 211.1
[M+NH4]+ 427.42579 222.1
[M+K]+ 448.35513 207.9
[M+H-H2O]+ 392.38923 207.5
[M+HCOO]- 454.39017 234.2
[M+CH3COO]- 468.40582 230.9
[M+Na-2H]- 430.36664 211.1
[M]+ 409.39142 222.8
[M]- 409.39252 222.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe