CID 3066252

1h-indole, 5-(methylthio)-3-(1-propyl-1,2,3,6-tetrahydro-4-pyridinyl)-, monohydrochloride

Structural Information

Molecular Formula
C17H22N2S
SMILES
CCCN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)SC
InChI
InChI=1S/C17H22N2S/c1-3-8-19-9-6-13(7-10-19)16-12-18-17-5-4-14(20-2)11-15(16)17/h4-6,11-12,18H,3,7-10H2,1-2H3
InChIKey
QRATYCVZAKKNDY-UHFFFAOYSA-N
Compound name
5-methylsulfanyl-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

286.15036 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.15764 167.0
[M+Na]+ 309.13958 181.1
[M+NH4]+ 304.18418 176.4
[M+K]+ 325.11352 171.9
[M-H]- 285.14308 171.2
[M+Na-2H]- 307.12503 173.6
[M]+ 286.14981 170.8
[M]- 286.15091 170.8
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

patents stripe