CID 16082517

Nonanoyl tryptamine

Structural Information

Molecular Formula
C19H28N2O
SMILES
CCCCCCCCC(=O)NCCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C19H28N2O/c1-2-3-4-5-6-7-12-19(22)20-14-13-16-15-21-18-11-9-8-10-17(16)18/h8-11,15,21H,2-7,12-14H2,1H3,(H,20,22)
InChIKey
JHKBQGYMCOBVJV-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-3-yl)ethyl]nonanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

300.22015 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.22743 176.3
[M+Na]+ 323.20937 181.2
[M-H]- 299.21287 177.1
[M+NH4]+ 318.25397 192.0
[M+K]+ 339.18331 175.4
[M+H-H2O]+ 283.21741 168.2
[M+HCOO]- 345.21835 197.2
[M+CH3COO]- 359.23400 205.9
[M+Na-2H]- 321.19482 178.7
[M]+ 300.21960 178.9
[M]- 300.22070 178.9
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

No patent data available for this compound.