CID 3726592

N-palmitoyltryptamine

Structural Information

Molecular Formula
C26H42N2O
SMILES
CCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C26H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-26(29)27-21-20-23-22-28-25-18-16-15-17-24(23)25/h15-18,22,28H,2-14,19-21H2,1H3,(H,27,29)
InChIKey
YZWBXGMMZOEBAN-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-3-yl)ethyl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

16
Patents

398.3297 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.33698 207.9
[M+Na]+ 421.31892 216.7
[M+NH4]+ 416.36352 213.5
[M+K]+ 437.29286 208.4
[M-H]- 397.32242 208.9
[M+Na-2H]- 419.30437 210.0
[M]+ 398.32915 209.1
[M]- 398.33025 209.1
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