CID 208433

Uracil, 1-(p-chlorophenyl)-3,6-dimethyl-5-dimethylamino-

Structural Information

Molecular Formula
C14H16ClN3O2
SMILES
CC1=C(C(=O)N(C(=O)N1C2=CC=C(C=C2)Cl)C)N(C)C
InChI
InChI=1S/C14H16ClN3O2/c1-9-12(16(2)3)13(19)17(4)14(20)18(9)11-7-5-10(15)6-8-11/h5-8H,1-4H3
InChIKey
YPGSWQHGZLTTGJ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-5-(dimethylamino)-3,6-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.0931 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.100376 163.3
[M+Na]+ 316.082318 175.9
[M-H]- 292.085824 170.1
[M+NH4]+ 311.126923 178.3
[M+K]+ 332.056258 171.2
[M+H-H2O]+ 276.090360 155.1
[M+HCOO]- 338.091301 182.5
[M+CH3COO]- 352.106951 209.1
[M+Na-2H]- 314.067766 166.2
[M]+ 293.09255142 169.8
[M]- 293.09364858 169.8
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.