CID 135435131

Chembl291672

Structural Information

Molecular Formula
C12H12ClN3O2
SMILES
CCOC1=CC=CC(=C1)C2=C(C(=O)NC(=N2)N)Cl
InChI
InChI=1S/C12H12ClN3O2/c1-2-18-8-5-3-4-7(6-8)10-9(13)11(17)16-12(14)15-10/h3-6H,2H2,1H3,(H3,14,15,16,17)
InChIKey
NJKWHNZYXAPARH-UHFFFAOYSA-N
Compound name
2-amino-5-chloro-4-(3-ethoxyphenyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.0618 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.06908 156.9
[M+Na]+ 288.05102 167.7
[M-H]- 264.05452 160.0
[M+NH4]+ 283.09562 171.0
[M+K]+ 304.02496 161.4
[M+H-H2O]+ 248.05906 149.1
[M+HCOO]- 310.06000 174.1
[M+CH3COO]- 324.07565 195.0
[M+Na-2H]- 286.03647 161.6
[M]+ 265.06125 158.6
[M]- 265.06235 158.6
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.