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]+ 281.20122 169.8
[M+Na]+ 303.18316 184.5
[M+NH4]+ 298.22776 179.9
[M+K]+ 319.15710 175.8
[M-H]- 279.18666 175.3
[M+Na-2H]- 301.16861 179.8
[M]+ 280.19339 173.8
[M]- 280.19449 173.8
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.

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No patent data available for this compound.