CID 24749268

Oleoyl serotonin

Structural Information

Molecular Formula
C28H44N2O2
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NCCC1=CNC2=C1C=C(C=C2)O
InChI
InChI=1S/C28H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(32)29-21-20-24-23-30-27-19-18-25(31)22-26(24)27/h9-10,18-19,22-23,30-31H,2-8,11-17,20-21H2,1H3,(H,29,32)/b10-9-
InChIKey
LCQKHZYXPCLVBI-KTKRTIGZSA-N
Compound name
(Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

440.34027 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.34755 218.1
[M+Na]+ 463.32949 219.6
[M-H]- 439.33299 216.1
[M+NH4]+ 458.37409 227.4
[M+K]+ 479.30343 211.0
[M+H-H2O]+ 423.33753 208.7
[M+HCOO]- 485.33847 234.6
[M+CH3COO]- 499.35412 231.9
[M+Na-2H]- 461.31494 214.8
[M]+ 440.33972 223.0
[M]- 440.34082 223.0
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.