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 167.8
[M+Na]+ 305.16244 175.3
[M-H]- 281.16594 173.7
[M+NH4]+ 300.20704 184.0
[M+K]+ 321.13638 169.9
[M+H-H2O]+ 265.17048 158.7
[M+HCOO]- 327.17142 186.3
[M+CH3COO]- 341.18707 178.7
[M+Na-2H]- 303.14789 169.8
[M]+ 282.17267 165.7
[M]- 282.17377 165.7
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

patents stripe