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 168.5
[M+Na]+ 303.18316 176.6
[M-H]- 279.18666 174.6
[M+NH4]+ 298.22776 185.2
[M+K]+ 319.15710 170.4
[M+H-H2O]+ 263.19120 159.6
[M+HCOO]- 325.19214 186.5
[M+CH3COO]- 339.20779 179.5
[M+Na-2H]- 301.16861 169.3
[M]+ 280.19339 165.7
[M]- 280.19449 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