CID 44831

1-methyl-3-(2-(4-piperidinyl)ethyl)-1h-indole hydrochloride

Structural Information

Molecular Formula
C16H22N2
SMILES
CN1C=C(C2=CC=CC=C21)CCC3CCNCC3
InChI
InChI=1S/C16H22N2/c1-18-12-14(15-4-2-3-5-16(15)18)7-6-13-8-10-17-11-9-13/h2-5,12-13,17H,6-11H2,1H3
InChIKey
SPDNEIRGFSAONU-UHFFFAOYSA-N
Compound name
1-methyl-3-(2-piperidin-4-ylethyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1783 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.18558 158.7
[M+Na]+ 265.16752 172.2
[M+NH4]+ 260.21212 167.9
[M+K]+ 281.14146 165.3
[M-H]- 241.17102 162.5
[M+Na-2H]- 263.15297 165.6
[M]+ 242.17775 161.7
[M]- 242.17885 161.7
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.