CID 594460

Stearoyl serotonin

Structural Information

Molecular Formula
C28H46N2O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=C(C=C2)O
InChI
InChI=1S/C28H46N2O2/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/h18-19,22-23,30-31H,2-17,20-21H2,1H3,(H,29,32)
InChIKey
FKWHKBXVLNKTGT-UHFFFAOYSA-N
Compound name
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

18
Patents

442.35593 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.36321 218.8
[M+Na]+ 465.34515 220.0
[M-H]- 441.34865 216.8
[M+NH4]+ 460.38975 228.1
[M+K]+ 481.31909 212.0
[M+H-H2O]+ 425.35319 209.3
[M+HCOO]- 487.35413 235.2
[M+CH3COO]- 501.36978 233.2
[M+Na-2H]- 463.33060 215.6
[M]+ 442.35538 224.5
[M]- 442.35648 224.5
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