CID 3045818

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
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.

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No literature data available for this compound.

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No patent data available for this compound.