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]+ 299.953376 151.1
[M+Na]+ 321.935318 165.5
[M-H]- 297.938824 156.9
[M+NH4]+ 316.979923 167.7
[M+K]+ 337.909258 150.5
[M+H-H2O]+ 281.943360 150.0
[M+HCOO]- 343.944301 166.6
[M+CH3COO]- 357.959951 165.2
[M+Na-2H]- 319.920766 158.1
[M]+ 298.94555142 169.3
[M]- 298.94664858 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.