CID 24837766

N-((4-hydroxy-3-methoxyphenyl)methyl)-11,14-eicosadienamide (z,z)-

Structural Information

Molecular Formula
C28H45NO3
SMILES
CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C28H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28(31)29-24-25-21-22-26(30)27(23-25)32-2/h7-8,10-11,21-23,30H,3-6,9,12-20,24H2,1-2H3,(H,29,31)/b8-7-,11-10-
InChIKey
MIMKTVPFFMZJLS-NQLNTKRDSA-N
Compound name
(11Z,14Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]icosa-11,14-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

443.33994 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.34722 219.3
[M+Na]+ 466.32916 219.6
[M-H]- 442.33266 218.6
[M+NH4]+ 461.37376 227.8
[M+K]+ 482.30310 212.6
[M+H-H2O]+ 426.33720 210.0
[M+HCOO]- 488.33814 237.2
[M+CH3COO]- 502.35379 235.3
[M+Na-2H]- 464.31461 214.7
[M]+ 443.33939 225.5
[M]- 443.34049 225.5
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