CID 135435154

Chembl51956

Structural Information

Molecular Formula
C12H12ClN3O3
SMILES
COC1=CC(=CC(=C1)C2=C(C(=O)NC(=N2)N)Cl)OC
InChI
InChI=1S/C12H12ClN3O3/c1-18-7-3-6(4-8(5-7)19-2)10-9(13)11(17)16-12(14)15-10/h3-5H,1-2H3,(H3,14,15,16,17)
InChIKey
ALDATNRYLNEGFP-UHFFFAOYSA-N
Compound name
2-amino-5-chloro-4-(3,5-dimethoxyphenyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.05673 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.06401 159.9
[M+Na]+ 304.04595 171.4
[M-H]- 280.04945 163.4
[M+NH4]+ 299.09055 173.4
[M+K]+ 320.01989 165.8
[M+H-H2O]+ 264.05399 152.1
[M+HCOO]- 326.05493 177.2
[M+CH3COO]- 340.07058 198.6
[M+Na-2H]- 302.03140 163.8
[M]+ 281.05618 163.3
[M]- 281.05728 163.3
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.