CID 3043297

55315-95-2

Structural Information

Molecular Formula
C21H26N2O3
SMILES
CC1=CC=CC=C1OCC(CN2CCCCC2)OC(=O)C3=CN=CC=C3
InChI
InChI=1S/C21H26N2O3/c1-17-8-3-4-10-20(17)25-16-19(15-23-12-5-2-6-13-23)26-21(24)18-9-7-11-22-14-18/h3-4,7-11,14,19H,2,5-6,12-13,15-16H2,1H3
InChIKey
FXFDLHGWTMRKRV-UHFFFAOYSA-N
Compound name
[1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-yl] pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.19434 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.20162 186.5
[M+Na]+ 377.18356 188.4
[M-H]- 353.18706 191.4
[M+NH4]+ 372.22816 195.0
[M+K]+ 393.15750 184.6
[M+H-H2O]+ 337.19160 174.7
[M+HCOO]- 399.19254 201.4
[M+CH3COO]- 413.20819 212.6
[M+Na-2H]- 375.16901 187.3
[M]+ 354.19379 184.3
[M]- 354.19489 184.3
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.