CID 51703

3-(1-ethyl-1,2,3,6-tetrahydro-4-pyridinyl)-1h-indole hydrochloride

Structural Information

Molecular Formula
C15H18N2
SMILES
CCN1CCC(=CC1)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C15H18N2/c1-2-17-9-7-12(8-10-17)14-11-16-15-6-4-3-5-13(14)15/h3-7,11,16H,2,8-10H2,1H3
InChIKey
AUPFODUFUNPAOB-UHFFFAOYSA-N
Compound name
3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

8
Patents

226.147 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.15428 152.0
[M+Na]+ 249.13622 160.1
[M-H]- 225.13972 155.5
[M+NH4]+ 244.18082 169.7
[M+K]+ 265.11016 154.2
[M+H-H2O]+ 209.14426 143.7
[M+HCOO]- 271.14520 171.1
[M+CH3COO]- 285.16085 163.7
[M+Na-2H]- 247.12167 156.9
[M]+ 226.14645 149.5
[M]- 226.14755 149.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe