CID 136303784

6-(2-aminoethyl)-2-(pyridin-3-yl)-3,4-dihydropyrimidin-4-one dihydrochloride

Structural Information

Molecular Formula
C11H12N4O
SMILES
C1=CC(=CN=C1)C2=NC(=CC(=O)N2)CCN
InChI
InChI=1S/C11H12N4O/c12-4-3-9-6-10(16)15-11(14-9)8-2-1-5-13-7-8/h1-2,5-7H,3-4,12H2,(H,14,15,16)
InChIKey
YLBDESQYNGEZDN-UHFFFAOYSA-N
Compound name
4-(2-aminoethyl)-2-pyridin-3-yl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.1011 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.10838 147.3
[M+Na]+ 239.09032 161.4
[M+NH4]+ 234.13492 154.0
[M+K]+ 255.06426 154.9
[M-H]- 215.09382 149.8
[M+Na-2H]- 237.07577 156.0
[M]+ 216.10055 149.9
[M]- 216.10165 149.9
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

No patent data available for this compound.