CID 16759349

Dihomo-gamma-linolenoyl dopamine

Structural Information

Molecular Formula
C28H43NO3
SMILES
CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)NCCC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C28H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)29-23-22-25-20-21-26(30)27(31)24-25/h6-7,9-10,12-13,20-21,24,30-31H,2-5,8,11,14-19,22-23H2,1H3,(H,29,32)/b7-6-,10-9-,13-12-
InChIKey
CYGBGFOMNYTSCV-QNEBEIHSSA-N
Compound name
(8Z,11Z,14Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]icosa-8,11,14-trienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

441.32428 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.33156 218.0
[M+Na]+ 464.31350 218.2
[M-H]- 440.31700 215.9
[M+NH4]+ 459.35810 225.8
[M+K]+ 480.28744 209.8
[M+H-H2O]+ 424.32154 209.1
[M+HCOO]- 486.32248 234.5
[M+CH3COO]- 500.33813 231.6
[M+Na-2H]- 462.29895 213.0
[M]+ 441.32373 221.5
[M]- 441.32483 221.5
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