CID 3055752

1h-indole, 3-(1-propyl-1,2,3,6-tetrahydro-4-pyridinyl)-, monohydrochloride

Structural Information

Molecular Formula
C16H20N2
SMILES
CCCN1CCC(=CC1)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C16H20N2/c1-2-9-18-10-7-13(8-11-18)15-12-17-16-6-4-3-5-14(15)16/h3-7,12,17H,2,8-11H2,1H3
InChIKey
FJAGJTZGNGENJB-UHFFFAOYSA-N
Compound name
3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

240.16264 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.16992 156.6
[M+Na]+ 263.15186 164.2
[M-H]- 239.15536 159.9
[M+NH4]+ 258.19646 173.7
[M+K]+ 279.12580 158.1
[M+H-H2O]+ 223.15990 148.0
[M+HCOO]- 285.16084 175.4
[M+CH3COO]- 299.17649 167.9
[M+Na-2H]- 261.13731 160.9
[M]+ 240.16209 154.4
[M]- 240.16319 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

literature stripe

Patent stripe

patents stripe