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]+ 355.201616 186.5
[M+Na]+ 377.183558 188.4
[M-H]- 353.187064 191.4
[M+NH4]+ 372.228163 195.0
[M+K]+ 393.157498 184.6
[M+H-H2O]+ 337.191600 174.7
[M+HCOO]- 399.192541 201.4
[M+CH3COO]- 413.208191 212.6
[M+Na-2H]- 375.169006 187.3
[M]+ 354.19379142 184.3
[M]- 354.19488858 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.