CID 3041244

53727-37-0

Structural Information

Molecular Formula
C13H14BrN3O2
SMILES
CN1C(=O)C(=CN(C1=O)C2=CC=C(C=C2)Br)N(C)C
InChI
InChI=1S/C13H14BrN3O2/c1-15(2)11-8-17(13(19)16(3)12(11)18)10-6-4-9(14)5-7-10/h4-8H,1-3H3
InChIKey
ZHYCVFLAKNLPAT-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-5-(dimethylamino)-3-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.02695 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.03423 160.5
[M+Na]+ 346.01617 166.1
[M+NH4]+ 341.06077 164.0
[M+K]+ 361.99011 166.0
[M-H]- 322.01967 162.5
[M+Na-2H]- 344.00162 165.5
[M]+ 323.02640 160.7
[M]- 323.02750 160.7
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.