CID 387477

Nsc681280

Structural Information

Molecular Formula
C13H11Cl2N3O3
SMILES
CN1C(=C(C(=O)N(C1=O)C)C=NC2=C(C=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C13H11Cl2N3O3/c1-17-11(19)8(12(20)18(2)13(17)21)6-16-10-4-3-7(14)5-9(10)15/h3-6,19H,1-2H3
InChIKey
CLQJZUKORANXET-UHFFFAOYSA-N
Compound name
5-[(2,4-dichlorophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.01776 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.02504 167.5
[M+Na]+ 350.00698 181.5
[M-H]- 326.01048 172.6
[M+NH4]+ 345.05158 181.1
[M+K]+ 365.98092 174.9
[M+H-H2O]+ 310.01502 160.4
[M+HCOO]- 372.01596 181.8
[M+CH3COO]- 386.03161 209.2
[M+Na-2H]- 347.99243 170.1
[M]+ 327.01721 174.5
[M]- 327.01831 174.5
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.