CID 54673543

1339058-04-6

Structural Information

Molecular Formula
C18H22N2O2
SMILES
C1CN(CCC1(CN2C=CC=CC2=O)O)CC3=CC=CC=C3
InChI
InChI=1S/C18H22N2O2/c21-17-8-4-5-11-20(17)15-18(22)9-12-19(13-10-18)14-16-6-2-1-3-7-16/h1-8,11,22H,9-10,12-15H2
InChIKey
BGMVOROUOUVVRV-UHFFFAOYSA-N
Compound name
1-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

13
Patents

298.16812 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17540 172.5
[M+Na]+ 321.15734 186.8
[M+NH4]+ 316.20194 181.5
[M+K]+ 337.13128 176.7
[M-H]- 297.16084 177.4
[M+Na-2H]- 319.14279 183.1
[M]+ 298.16757 176.1
[M]- 298.16867 176.1
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

patents stripe