CID 3063674

3-(2,4-dichlorophenyl)-1-methyl-dihydrouracil

Structural Information

Molecular Formula
C11H10Cl2N2O2
SMILES
CN1CCC(=O)N(C1=O)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H10Cl2N2O2/c1-14-5-4-10(16)15(11(14)17)9-3-2-7(12)6-8(9)13/h2-3,6H,4-5H2,1H3
InChIKey
DZXXYRZXCCPOAL-UHFFFAOYSA-N
Compound name
3-(2,4-dichlorophenyl)-1-methyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

272.01193 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.019206 155.0
[M+Na]+ 295.001148 165.9
[M-H]- 271.004654 158.6
[M+NH4]+ 290.045753 170.4
[M+K]+ 310.975088 160.2
[M+H-H2O]+ 255.009190 148.1
[M+HCOO]- 317.010131 164.3
[M+CH3COO]- 331.025781 196.0
[M+Na-2H]- 292.986596 156.9
[M]+ 272.01138142 156.1
[M]- 272.01247858 156.1
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

patents stripe