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 173.1
[M+Na]+ 343.07394 182.9
[M-H]- 319.07744 178.1
[M+NH4]+ 338.11854 189.2
[M+K]+ 359.04788 174.4
[M+H-H2O]+ 303.08198 164.7
[M+HCOO]- 365.08292 181.7
[M+CH3COO]- 379.09857 183.5
[M+Na-2H]- 341.05939 173.4
[M]+ 320.08417 172.7
[M]- 320.08527 172.7
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.