CID 3061870

1h-indole, 5-chloro-3-(1-phenethyl-1,2,3,6-tetrahydro-4-pyridinyl)-, monohydrochloride

Structural Information

Molecular Formula
C21H21ClN2
SMILES
C1CN(CC=C1C2=CNC3=C2C=C(C=C3)Cl)CCC4=CC=CC=C4
InChI
InChI=1S/C21H21ClN2/c22-18-6-7-21-19(14-18)20(15-23-21)17-9-12-24(13-10-17)11-8-16-4-2-1-3-5-16/h1-7,9,14-15,23H,8,10-13H2
InChIKey
VXXAXSNZIRZBNV-UHFFFAOYSA-N
Compound name
5-chloro-3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.1393 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.14658 180.9
[M+Na]+ 359.12852 189.2
[M-H]- 335.13202 186.9
[M+NH4]+ 354.17312 194.5
[M+K]+ 375.10246 179.7
[M+H-H2O]+ 319.13656 170.8
[M+HCOO]- 381.13750 194.3
[M+CH3COO]- 395.15315 190.6
[M+Na-2H]- 357.11397 183.2
[M]+ 336.13875 180.3
[M]- 336.13985 180.3
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

No patent data available for this compound.