CID 18800

5-benzylthiotryptamine hydrochloride

Structural Information

Molecular Formula
C17H18N2S
SMILES
C1=CC=C(C=C1)CSC2=CC3=C(C=C2)NC=C3CCN
InChI
InChI=1S/C17H18N2S/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12,18H2
InChIKey
UFOWREVIFOMMMS-UHFFFAOYSA-N
Compound name
2-(5-benzylsulfanyl-1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.11908 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12636 163.7
[M+Na]+ 305.10830 177.8
[M+NH4]+ 300.15290 173.4
[M+K]+ 321.08224 168.5
[M-H]- 281.11180 169.1
[M+Na-2H]- 303.09375 172.1
[M]+ 282.11853 167.8
[M]- 282.11963 167.8
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.