CID 3045877

Pyridine, 4-(5-(3-chlorophenyl)-2,2-dimethyl-3-pyrrolidinyl)-, dihydrochloride, cis-(+-)-

Structural Information

Molecular Formula
C17H19ClN2
SMILES
CC1([C@@H](C[C@@H](N1)C2=CC(=CC=C2)Cl)C3=CC=NC=C3)C
InChI
InChI=1S/C17H19ClN2/c1-17(2)15(12-6-8-19-9-7-12)11-16(20-17)13-4-3-5-14(18)10-13/h3-10,15-16,20H,11H2,1-2H3/t15-,16+/m0/s1
InChIKey
QLNIESPQZJENNE-JKSUJKDBSA-N
Compound name
4-[(3S,5R)-5-(3-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

286.1237 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13098 167.2
[M+Na]+ 309.11292 182.8
[M+NH4]+ 304.15752 177.9
[M+K]+ 325.08686 173.4
[M-H]- 285.11642 172.7
[M+Na-2H]- 307.09837 177.9
[M]+ 286.12315 171.6
[M]- 286.12425 171.6
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.