CID 135480645

Chembl293100

Structural Information

Molecular Formula
C10H6BrCl2N3O
SMILES
C1=C(C=C(C=C1Cl)Cl)C2=C(C(=O)NC(=N2)N)Br
InChI
InChI=1S/C10H6BrCl2N3O/c11-7-8(15-10(14)16-9(7)17)4-1-5(12)3-6(13)2-4/h1-3H,(H3,14,15,16,17)
InChIKey
HEMJWPBKELNDCK-UHFFFAOYSA-N
Compound name
2-amino-5-bromo-4-(3,5-dichlorophenyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

332.90714 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.91442 155.0
[M+Na]+ 355.89636 170.5
[M-H]- 331.89986 160.3
[M+NH4]+ 350.94096 170.9
[M+K]+ 371.87030 154.6
[M+H-H2O]+ 315.90440 154.5
[M+HCOO]- 377.90534 165.5
[M+CH3COO]- 391.92099 168.7
[M+Na-2H]- 353.88181 160.6
[M]+ 332.90659 174.3
[M]- 332.90769 174.3
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.