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]+ 286.15502 168.3
[M+Na]+ 308.13696 174.3
[M-H]- 284.14046 170.7
[M+NH4]+ 303.18156 177.8
[M+K]+ 324.11090 167.8
[M+H-H2O]+ 268.14500 157.6
[M+HCOO]- 330.14594 182.4
[M+CH3COO]- 344.16159 176.9
[M+Na-2H]- 306.12241 171.6
[M]+ 285.14719 162.1
[M]- 285.14829 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.