CID 136267874

2-(dimethylamino)-6-(pyrrolidin-3-yl)pyrimidin-4-ol dihydrochloride

Structural Information

Molecular Formula
C10H16N4O
SMILES
CN(C)C1=NC(=CC(=O)N1)C2CCNC2
InChI
InChI=1S/C10H16N4O/c1-14(2)10-12-8(5-9(15)13-10)7-3-4-11-6-7/h5,7,11H,3-4,6H2,1-2H3,(H,12,13,15)
InChIKey
JQUUFBDEPNTDGS-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-4-pyrrolidin-3-yl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.13242 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.139696 146.9
[M+Na]+ 231.121638 153.6
[M-H]- 207.125144 148.3
[M+NH4]+ 226.166243 162.4
[M+K]+ 247.095578 150.3
[M+H-H2O]+ 191.129680 138.1
[M+HCOO]- 253.130621 165.4
[M+CH3COO]- 267.146271 185.6
[M+Na-2H]- 229.107086 149.7
[M]+ 208.13187142 142.3
[M]- 208.13296858 142.3
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.