CID 10432739

Palmitoyl methoxytryptamine

Structural Information

Molecular Formula
C27H44N2O2
SMILES
CCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
InChI
InChI=1S/C27H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27(30)28-20-19-23-22-29-26-18-17-24(31-2)21-25(23)26/h17-18,21-22,29H,3-16,19-20H2,1-2H3,(H,28,30)
InChIKey
FZRCDVTXEASFSU-UHFFFAOYSA-N
Compound name
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

428.34027 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.34755 215.1
[M+Na]+ 451.32949 217.1
[M-H]- 427.33299 214.6
[M+NH4]+ 446.37409 225.7
[M+K]+ 467.30343 210.2
[M+H-H2O]+ 411.33753 205.5
[M+HCOO]- 473.33847 233.3
[M+CH3COO]- 487.35412 232.7
[M+Na-2H]- 449.31494 212.7
[M]+ 428.33972 222.3
[M]- 428.34082 222.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe