CID 135435121

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

Structural Information

Molecular Formula
C10H7Br2N3O
SMILES
C1=CC(=CC(=C1)Br)C2=C(C(=O)NC(=N2)N)Br
InChI
InChI=1S/C10H7Br2N3O/c11-6-3-1-2-5(4-6)8-7(12)9(16)15-10(13)14-8/h1-4H,(H3,13,14,15,16)
InChIKey
ADVKJCPIWWIACP-UHFFFAOYSA-N
Compound name
2-amino-5-bromo-4-(3-bromophenyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.8956 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.90288 145.4
[M+Na]+ 365.88482 156.7
[M-H]- 341.88832 151.5
[M+NH4]+ 360.92942 160.2
[M+K]+ 381.85876 139.7
[M+H-H2O]+ 325.89286 151.9
[M+HCOO]- 387.89380 160.1
[M+CH3COO]- 401.90945 158.5
[M+Na-2H]- 363.87027 152.4
[M]+ 342.89505 177.4
[M]- 342.89615 177.4
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.