CID 135454047

2-phenyl-6-(piperidinomethyl)-4,5-pyrimidinediol

Structural Information

Molecular Formula
C16H19N3O2
SMILES
C1CCN(CC1)CC2=C(C(=O)NC(=N2)C3=CC=CC=C3)O
InChI
InChI=1S/C16H19N3O2/c20-14-13(11-19-9-5-2-6-10-19)17-15(18-16(14)21)12-7-3-1-4-8-12/h1,3-4,7-8,20H,2,5-6,9-11H2,(H,17,18,21)
InChIKey
YSQMVAVBEMDJCD-UHFFFAOYSA-N
Compound name
5-hydroxy-2-phenyl-4-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

285.14774 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.155016 168.3
[M+Na]+ 308.136958 174.3
[M-H]- 284.140464 170.7
[M+NH4]+ 303.181563 177.8
[M+K]+ 324.110898 167.8
[M+H-H2O]+ 268.145000 157.6
[M+HCOO]- 330.145941 182.4
[M+CH3COO]- 344.161591 176.9
[M+Na-2H]- 306.122406 171.6
[M]+ 285.14719142 162.1
[M]- 285.14828858 162.1
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

No patent data available for this compound.