CID 388635

Nsc683647

Structural Information

Molecular Formula
C12H12ClN3O2
SMILES
CC1=C(C=C(C=C1)NC2=C(C(=O)NC(=O)N2)C)Cl
InChI
InChI=1S/C12H12ClN3O2/c1-6-3-4-8(5-9(6)13)14-10-7(2)11(17)16-12(18)15-10/h3-5H,1-2H3,(H3,14,15,16,17,18)
InChIKey
ZCNDTRWHQKQXGI-UHFFFAOYSA-N
Compound name
6-(3-chloro-4-methylanilino)-5-methyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0618 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.06908 156.7
[M+Na]+ 288.05102 168.3
[M-H]- 264.05452 159.3
[M+NH4]+ 283.09562 170.6
[M+K]+ 304.02496 160.9
[M+H-H2O]+ 248.05906 149.5
[M+HCOO]- 310.06000 173.2
[M+CH3COO]- 324.07565 193.9
[M+Na-2H]- 286.03647 161.1
[M]+ 265.06125 157.2
[M]- 265.06235 157.2
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.