CID 60250

108477-28-7

Structural Information

Molecular Formula
C18H20N2O2
SMILES
C1CCN(C1)CC(C2=CC=CC=C2)OC(=O)C3=CC=NC=C3
InChI
InChI=1S/C18H20N2O2/c21-18(16-8-10-19-11-9-16)22-17(14-20-12-4-5-13-20)15-6-2-1-3-7-15/h1-3,6-11,17H,4-5,12-14H2
InChIKey
BSYUKVBEUYDYRG-UHFFFAOYSA-N
Compound name
(1-phenyl-2-pyrrolidin-1-ylethyl) pyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.15247 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 170.3
[M+Na]+ 319.14169 173.7
[M-H]- 295.14519 176.1
[M+NH4]+ 314.18629 183.2
[M+K]+ 335.11563 170.1
[M+H-H2O]+ 279.14973 159.8
[M+HCOO]- 341.15067 188.5
[M+CH3COO]- 355.16632 179.9
[M+Na-2H]- 317.12714 171.5
[M]+ 296.15192 167.7
[M]- 296.15302 167.7
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

No patent data available for this compound.