CID 3036779

Cis-(+-)-4-(2,2-dimethyl-5-(4-methoxyphenyl)-3-pyrrolidinyl)pyridine dihydrochloride

Structural Information

Molecular Formula
C18H22N2O
SMILES
CC1([C@@H](C[C@@H](N1)C2=CC=C(C=C2)OC)C3=CC=NC=C3)C
InChI
InChI=1S/C18H22N2O/c1-18(2)16(13-8-10-19-11-9-13)12-17(20-18)14-4-6-15(21-3)7-5-14/h4-11,16-17,20H,12H2,1-3H3/t16-,17+/m0/s1
InChIKey
GYABHVRATOXVPA-DLBZAZTESA-N
Compound name
4-[(3S,5R)-5-(4-methoxyphenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

282.17322 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18050 168.8
[M+Na]+ 305.16244 182.9
[M+NH4]+ 300.20704 178.5
[M+K]+ 321.13638 174.7
[M-H]- 281.16594 173.8
[M+Na-2H]- 303.14789 178.8
[M]+ 282.17267 172.5
[M]- 282.17377 172.5
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

patents stripe