CID 6444746

Chembl1672680

Structural Information

Molecular Formula
C26H41NO3
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C26H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)27-22-23-19-20-24(28)25(21-23)30-2/h7-8,10-11,19-21,28H,3-6,9,12-18,22H2,1-2H3,(H,27,29)/b8-7-,11-10-
InChIKey
QLXBKYBHBQBEFT-NQLNTKRDSA-N
Compound name
(9Z,12Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadeca-9,12-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

25
Patents

415.30865 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.31593 210.7
[M+Na]+ 438.29787 211.9
[M-H]- 414.30137 210.4
[M+NH4]+ 433.34247 220.4
[M+K]+ 454.27181 205.4
[M+H-H2O]+ 398.30591 201.8
[M+HCOO]- 460.30685 229.3
[M+CH3COO]- 474.32250 229.4
[M+Na-2H]- 436.28332 207.1
[M]+ 415.30810 216.2
[M]- 415.30920 216.2
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