CID 6439058

N-linoleoyldopamine

Structural Information

Molecular Formula
C26H41NO3
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C26H41NO3/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/h6-7,9-10,18-19,22,28-29H,2-5,8,11-17,20-21H2,1H3,(H,27,30)/b7-6-,10-9-
InChIKey
SZYHQIGUKQSEJD-HZJYTTRNSA-N
Compound name
(9Z,12Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]octadeca-9,12-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

415.30865 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.31593 211.7
[M+Na]+ 438.29787 218.9
[M+NH4]+ 433.34247 215.1
[M+K]+ 454.27181 210.3
[M-H]- 414.30137 211.1
[M+Na-2H]- 436.28332 211.9
[M]+ 415.30810 212.1
[M]- 415.30920 212.1
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