CID 135910888

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.1011 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.10838 148.0
[M+Na]+ 239.09032 156.9
[M-H]- 215.09382 149.2
[M+NH4]+ 234.13492 161.2
[M+K]+ 255.06426 151.4
[M+H-H2O]+ 199.09836 138.8
[M+HCOO]- 261.09930 168.6
[M+CH3COO]- 275.11495 159.3
[M+Na-2H]- 237.07577 155.3
[M]+ 216.10055 145.5
[M]- 216.10165 145.5
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.