CID 58937

5-cyano-3-piperidinoethylindole hydrochloride

Structural Information

Molecular Formula
C16H19N3
SMILES
C1CCN(CC1)CCC2=CNC3=C2C=C(C=C3)C#N
InChI
InChI=1S/C16H19N3/c17-11-13-4-5-16-15(10-13)14(12-18-16)6-9-19-7-2-1-3-8-19/h4-5,10,12,18H,1-3,6-9H2
InChIKey
BCFYZHQSHKSPSR-UHFFFAOYSA-N
Compound name
3-(2-piperidin-1-ylethyl)-1H-indole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1579 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.16518 164.5
[M+Na]+ 276.14712 177.0
[M+NH4]+ 271.19172 169.6
[M+K]+ 292.12106 167.1
[M-H]- 252.15062 160.3
[M+Na-2H]- 274.13257 168.1
[M]+ 253.15735 164.3
[M]- 253.15845 164.3
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.