CID 391441

3-(1-piperidinylcarbothioyl)-1h-indole

Structural Information

Molecular Formula
C14H16N2S
SMILES
C1CCN(CC1)C(=S)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C14H16N2S/c17-14(16-8-4-1-5-9-16)12-10-15-13-7-3-2-6-11(12)13/h2-3,6-7,10,15H,1,4-5,8-9H2
InChIKey
CENUPWPJGBFRJM-UHFFFAOYSA-N
Compound name
1H-indol-3-yl(piperidin-1-yl)methanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

244.10342 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11070 154.2
[M+Na]+ 267.09264 161.6
[M-H]- 243.09614 157.5
[M+NH4]+ 262.13724 171.6
[M+K]+ 283.06658 155.8
[M+H-H2O]+ 227.10068 146.9
[M+HCOO]- 289.10162 166.7
[M+CH3COO]- 303.11727 165.1
[M+Na-2H]- 265.07809 155.4
[M]+ 244.10287 150.9
[M]- 244.10397 150.9
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.