CID 10787968

Palmitoyl serotonin

Structural Information

Molecular Formula
C26H42N2O2
SMILES
CCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=C(C=C2)O
InChI
InChI=1S/C26H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-26(30)27-19-18-22-21-28-25-17-16-23(29)20-24(22)25/h16-17,20-21,28-29H,2-15,18-19H2,1H3,(H,27,30)
InChIKey
AKQOZSXOPVLUHA-UHFFFAOYSA-N
Compound name
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

11
Patents

414.32462 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.33190 210.2
[M+Na]+ 437.31384 212.3
[M-H]- 413.31734 208.6
[M+NH4]+ 432.35844 220.7
[M+K]+ 453.28778 204.7
[M+H-H2O]+ 397.32188 201.1
[M+HCOO]- 459.32282 227.2
[M+CH3COO]- 473.33847 227.4
[M+Na-2H]- 435.29929 208.0
[M]+ 414.32407 215.2
[M]- 414.32517 215.2
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