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 158.1
[M+Na]+ 265.16752 164.6
[M-H]- 241.17102 161.0
[M+NH4]+ 260.21212 175.0
[M+K]+ 281.14146 158.8
[M+H-H2O]+ 225.17556 149.4
[M+HCOO]- 287.17650 175.4
[M+CH3COO]- 301.19215 168.8
[M+Na-2H]- 263.15297 161.3
[M]+ 242.17775 154.4
[M]- 242.17885 154.4
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