CID 208433

Brn 0755867

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]+ 294.10038 163.3
[M+Na]+ 316.08232 175.9
[M-H]- 292.08582 170.1
[M+NH4]+ 311.12692 178.3
[M+K]+ 332.05626 171.2
[M+H-H2O]+ 276.09036 155.1
[M+HCOO]- 338.09130 182.5
[M+CH3COO]- 352.10695 209.1
[M+Na-2H]- 314.06777 166.2
[M]+ 293.09255 169.8
[M]- 293.09365 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.