CID 58959

5-methylthio-n-hexyl-alpha-methyltryptamine

Structural Information

Molecular Formula
C18H28N2S
SMILES
CCCCCCNCCCC1=CNC2=C1C=C(C=C2)SC
InChI
InChI=1S/C18H28N2S/c1-3-4-5-6-11-19-12-7-8-15-14-20-18-10-9-16(21-2)13-17(15)18/h9-10,13-14,19-20H,3-8,11-12H2,1-2H3
InChIKey
XKPSVLATVQURMU-UHFFFAOYSA-N
Compound name
N-[3-(5-methylsulfanyl-1H-indol-3-yl)propyl]hexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.19733 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.20461 173.1
[M+Na]+ 327.18655 180.1
[M-H]- 303.19005 174.5
[M+NH4]+ 322.23115 190.0
[M+K]+ 343.16049 173.3
[M+H-H2O]+ 287.19459 165.9
[M+HCOO]- 349.19553 189.9
[M+CH3COO]- 363.21118 206.3
[M+Na-2H]- 325.17200 173.9
[M]+ 304.19678 178.3
[M]- 304.19788 178.3
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

No patent data available for this compound.