CID 14230987

N-linolenoyldopamine

Structural Information

Molecular Formula
C26H39NO3
SMILES
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C26H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h3-4,6-7,9-10,18-19,22,28-29H,2,5,8,11-17,20-21H2,1H3,(H,27,30)/b4-3-,7-6-,10-9-
InChIKey
WKASWGQDAKPOAS-PDBXOOCHSA-N
Compound name
(9Z,12Z,15Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]octadeca-9,12,15-trienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

413.293 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.30028 209.5
[M+Na]+ 436.28222 210.6
[M-H]- 412.28572 207.8
[M+NH4]+ 431.32682 218.5
[M+K]+ 452.25616 202.6
[M+H-H2O]+ 396.29026 200.9
[M+HCOO]- 458.29120 226.7
[M+CH3COO]- 472.30685 225.7
[M+Na-2H]- 434.26767 205.5
[M]+ 413.29245 212.2
[M]- 413.29355 212.2
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