CID 3045825

Pyridine, 4-(2,2-dimethyl-5-(2,4-dimethylphenyl)-3-pyrrolidinyl)-, dihydrochloride, (3r-cis)-

Structural Information

Molecular Formula
C19H24N2
SMILES
CC1=CC(=C(C=C1)[C@@H]2C[C@@H](C(N2)(C)C)C3=CC=NC=C3)C
InChI
InChI=1S/C19H24N2/c1-13-5-6-16(14(2)11-13)18-12-17(19(3,4)21-18)15-7-9-20-10-8-15/h5-11,17-18,21H,12H2,1-4H3/t17-,18+/m1/s1
InChIKey
QZLPOLDMBBYEKI-MSOLQXFVSA-N
Compound name
4-[(3R,5S)-5-(2,4-dimethylphenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.19394 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.201216 168.5
[M+Na]+ 303.183158 176.6
[M-H]- 279.186664 174.6
[M+NH4]+ 298.227763 185.2
[M+K]+ 319.157098 170.4
[M+H-H2O]+ 263.191200 159.6
[M+HCOO]- 325.192141 186.5
[M+CH3COO]- 339.207791 179.5
[M+Na-2H]- 301.168606 169.3
[M]+ 280.19339142 165.7
[M]- 280.19448858 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