CID 9967913

119770-60-4

Structural Information

Molecular Formula
C20H23ClN2O
SMILES
CN1CCC(CC1)C(=O)C2=C(C=CC=N2)CCC3=CC(=CC=C3)Cl
InChI
InChI=1S/C20H23ClN2O/c1-23-12-9-17(10-13-23)20(24)19-16(5-3-11-22-19)8-7-15-4-2-6-18(21)14-15/h2-6,11,14,17H,7-10,12-13H2,1H3
InChIKey
YBWTYYOASANXND-UHFFFAOYSA-N
Compound name
[3-[2-(3-chlorophenyl)ethyl]pyridin-2-yl]-(1-methylpiperidin-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

342.1499 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15718 182.7
[M+Na]+ 365.13912 188.2
[M-H]- 341.14262 188.2
[M+NH4]+ 360.18372 193.5
[M+K]+ 381.11306 181.3
[M+H-H2O]+ 325.14716 172.0
[M+HCOO]- 387.14810 193.9
[M+CH3COO]- 401.16375 191.4
[M+Na-2H]- 363.12457 183.0
[M]+ 342.14935 181.2
[M]- 342.15045 181.2
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.