CID 51703

72808-71-0

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

9
Patents

226.147 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.154276 152.0
[M+Na]+ 249.136218 160.1
[M-H]- 225.139724 155.5
[M+NH4]+ 244.180823 169.7
[M+K]+ 265.110158 154.2
[M+H-H2O]+ 209.144260 143.7
[M+HCOO]- 271.145201 171.1
[M+CH3COO]- 285.160851 163.7
[M+Na-2H]- 247.121666 156.9
[M]+ 226.14645142 149.5
[M]- 226.14754858 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