CID 20054967

Melinamide

Structural Information

Molecular Formula
C26H41NO
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)NC(C)C1=CC=CC=C1
InChI
InChI=1S/C26H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(28)27-24(2)25-21-18-17-19-22-25/h7-8,10-11,17-19,21-22,24H,3-6,9,12-16,20,23H2,1-2H3,(H,27,28)/b8-7-,11-10-
InChIKey
RWIUTHWKQHRQNP-NQLNTKRDSA-N
Compound name
(9Z,12Z)-N-(1-phenylethyl)octadeca-9,12-dienamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

23
References

4744
Patents

383.31882 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.32610 206.4
[M+Na]+ 406.30804 206.1
[M-H]- 382.31154 206.8
[M+NH4]+ 401.35264 217.5
[M+K]+ 422.28198 199.5
[M+H-H2O]+ 366.31608 197.2
[M+HCOO]- 428.31702 225.0
[M+CH3COO]- 442.33267 226.4
[M+Na-2H]- 404.29349 203.1
[M]+ 383.31827 209.4
[M]- 383.31937 209.4
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