CID 135435114

4(3h)-pyrimidinone, 2-amino-5-bromo-6-(2-chlorophenyl)-

Structural Information

Molecular Formula
C10H7BrClN3O
SMILES
C1=CC=C(C(=C1)C2=C(C(=O)NC(=N2)N)Br)Cl
InChI
InChI=1S/C10H7BrClN3O/c11-7-8(14-10(13)15-9(7)16)5-3-1-2-4-6(5)12/h1-4H,(H3,13,14,15,16)
InChIKey
ZSXNYEOQDVFXRF-UHFFFAOYSA-N
Compound name
2-amino-5-bromo-4-(2-chlorophenyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.9461 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.95338 151.1
[M+Na]+ 321.93532 165.5
[M-H]- 297.93882 156.9
[M+NH4]+ 316.97992 167.7
[M+K]+ 337.90926 150.5
[M+H-H2O]+ 281.94336 150.0
[M+HCOO]- 343.94430 166.6
[M+CH3COO]- 357.95995 165.2
[M+Na-2H]- 319.92077 158.1
[M]+ 298.94555 169.3
[M]- 298.94665 169.3
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.