CID 3058138

Pyridine, 4-(5-(3,4-dichlorophenyl)-2,2-dimethyl-3-pyrrolidinyl)-, hydrochloride (2:3), cis-(+-)-

Structural Information

Molecular Formula
C17H18Cl2N2
SMILES
CC1([C@@H](C[C@@H](N1)C2=CC(=C(C=C2)Cl)Cl)C3=CC=NC=C3)C
InChI
InChI=1S/C17H18Cl2N2/c1-17(2)13(11-5-7-20-8-6-11)10-16(21-17)12-3-4-14(18)15(19)9-12/h3-9,13,16,21H,10H2,1-2H3/t13-,16+/m0/s1
InChIKey
NAEOBZRSINEFNX-XJKSGUPXSA-N
Compound name
4-[(3S,5R)-5-(3,4-dichlorophenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.08472 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.09200 172.9
[M+Na]+ 343.07394 189.3
[M+NH4]+ 338.11854 183.5
[M+K]+ 359.04788 179.3
[M-H]- 319.07744 178.2
[M+Na-2H]- 341.05939 183.1
[M]+ 320.08417 177.6
[M]- 320.08527 177.6
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.