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

14
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 172.0
[M+Na]+ 321.15734 177.6
[M-H]- 297.16084 176.8
[M+NH4]+ 316.20194 184.9
[M+K]+ 337.13128 172.2
[M+H-H2O]+ 281.16538 161.5
[M+HCOO]- 343.16632 188.4
[M+CH3COO]- 357.18197 181.4
[M+Na-2H]- 319.14279 176.4
[M]+ 298.16757 167.7
[M]- 298.16867 167.7
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