CID 10384247

Semiplenamide a

Structural Information

Molecular Formula
C23H43NO2
SMILES
CCCCCCCCCCCCC/C=C/CC/C=C(\C)/C(=O)NCCO
InChI
InChI=1S/C23H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)24-20-21-25/h15-16,19,25H,3-14,17-18,20-21H2,1-2H3,(H,24,26)/b16-15+,22-19+
InChIKey
SJZSLZDOZDKKND-JWGQYYPISA-N
Compound name
(2E,6E)-N-(2-hydroxyethyl)-2-methylicosa-2,6-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.32938 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.33666 203.2
[M+Na]+ 388.31860 202.6
[M-H]- 364.32210 199.0
[M+NH4]+ 383.36320 214.7
[M+K]+ 404.29254 197.1
[M+H-H2O]+ 348.32664 195.4
[M+HCOO]- 410.32758 219.9
[M+CH3COO]- 424.34323 221.4
[M+Na-2H]- 386.30405 198.5
[M]+ 365.32883 207.3
[M]- 365.32993 207.3
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

No patent data available for this compound.