CID 68915

Tepirindole

Structural Information

Molecular Formula
C16H19ClN2
SMILES
CCCN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)Cl
InChI
InChI=1S/C16H19ClN2/c1-2-7-19-8-5-12(6-9-19)15-11-18-16-4-3-13(17)10-14(15)16/h3-5,10-11,18H,2,6-9H2,1H3
InChIKey
ZRCUMOBNOPSLKM-UHFFFAOYSA-N
Compound name
5-chloro-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

248
Patents

274.1237 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.130976 164.3
[M+Na]+ 297.112918 173.5
[M-H]- 273.116424 167.5
[M+NH4]+ 292.157523 181.1
[M+K]+ 313.086858 165.8
[M+H-H2O]+ 257.120960 156.1
[M+HCOO]- 319.121901 178.2
[M+CH3COO]- 333.137551 175.3
[M+Na-2H]- 295.098366 167.1
[M]+ 274.12315142 164.5
[M]- 274.12424858 164.5
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