CID 387471

Nsc681275

Structural Information

Molecular Formula
C13H12ClN3O3
SMILES
CN1C(=C(C(=O)N(C1=O)C)C=NC2=CC=CC=C2Cl)O
InChI
InChI=1S/C13H12ClN3O3/c1-16-11(18)8(12(19)17(2)13(16)20)7-15-10-6-4-3-5-9(10)14/h3-7,18H,1-2H3
InChIKey
UHBLCNVLAUQRIK-UHFFFAOYSA-N
Compound name
5-[(2-chlorophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.05673 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.06401 162.1
[M+Na]+ 316.04595 175.1
[M-H]- 292.04945 167.7
[M+NH4]+ 311.09055 176.4
[M+K]+ 332.01989 169.4
[M+H-H2O]+ 276.05399 154.1
[M+HCOO]- 338.05493 181.6
[M+CH3COO]- 352.07058 203.6
[M+Na-2H]- 314.03140 166.2
[M]+ 293.05618 167.6
[M]- 293.05728 167.6
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.