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]+ 217.108376 148.0
[M+Na]+ 239.090318 156.9
[M-H]- 215.093824 149.2
[M+NH4]+ 234.134923 161.2
[M+K]+ 255.064258 151.4
[M+H-H2O]+ 199.098360 138.8
[M+HCOO]- 261.099301 168.6
[M+CH3COO]- 275.114951 159.3
[M+Na-2H]- 237.075766 155.3
[M]+ 216.10055142 145.5
[M]- 216.10164858 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.