CID 11141197

2-[(4-chlorophenyl)(4-piperidinyloxy)methyl]pyridine

Structural Information

Molecular Formula
C17H19ClN2O
SMILES
C1CNCCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3
InChI
InChI=1S/C17H19ClN2O/c18-14-6-4-13(5-7-14)17(16-3-1-2-10-20-16)21-15-8-11-19-12-9-15/h1-7,10,15,17,19H,8-9,11-12H2
InChIKey
OTZYADIPHOGUDN-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

302.1186 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12588 169.4
[M+Na]+ 325.10782 173.7
[M-H]- 301.11132 173.3
[M+NH4]+ 320.15242 180.6
[M+K]+ 341.08176 167.1
[M+H-H2O]+ 285.11586 159.2
[M+HCOO]- 347.11680 180.0
[M+CH3COO]- 361.13245 178.0
[M+Na-2H]- 323.09327 172.5
[M]+ 302.11805 165.0
[M]- 302.11915 165.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe