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

39
Patents

298.16812 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.175396 172.0
[M+Na]+ 321.157338 177.6
[M-H]- 297.160844 176.8
[M+NH4]+ 316.201943 184.9
[M+K]+ 337.131278 172.2
[M+H-H2O]+ 281.165380 161.5
[M+HCOO]- 343.166321 188.4
[M+CH3COO]- 357.181971 181.4
[M+Na-2H]- 319.142786 176.4
[M]+ 298.16757142 167.7
[M]- 298.16866858 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