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

literature stripe

Patent stripe

patents stripe