CID 25195461

Jnj-40411813

Structural Information

Molecular Formula
C20H25ClN2O
SMILES
CCCCN1C=CC(=C(C1=O)Cl)N2CCC(CC2)C3=CC=CC=C3
InChI
InChI=1S/C20H25ClN2O/c1-2-3-12-23-15-11-18(19(21)20(23)24)22-13-9-17(10-14-22)16-7-5-4-6-8-16/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3
InChIKey
HYOGJHCDLQSAHX-UHFFFAOYSA-N
Compound name
1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

96
Patents

344.16553 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.17281 183.9
[M+Na]+ 367.15475 200.3
[M+NH4]+ 362.19935 192.3
[M+K]+ 383.12869 189.9
[M-H]- 343.15825 189.9
[M+Na-2H]- 365.14020 193.0
[M]+ 344.16498 188.4
[M]- 344.16608 188.4
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