CID 135435153

2-amino-5-bromo-4-(2,5-dibromo-4-hydroxy-phenyl)-1h-pyrimidin-6-one

Structural Information

Molecular Formula
C10H6Br3N3O2
SMILES
C1=C(C(=CC(=C1Br)O)Br)C2=C(C(=O)NC(=N2)N)Br
InChI
InChI=1S/C10H6Br3N3O2/c11-4-2-6(17)5(12)1-3(4)8-7(13)9(18)16-10(14)15-8/h1-2,17H,(H3,14,15,16,18)
InChIKey
QXDRJFKJRUBESI-UHFFFAOYSA-N
Compound name
2-amino-5-bromo-4-(2,5-dibromo-4-hydroxyphenyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

436.801 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.80828 145.8
[M+Na]+ 459.79022 153.4
[M-H]- 435.79372 150.1
[M+NH4]+ 454.83482 156.3
[M+K]+ 475.76416 137.1
[M+H-H2O]+ 419.79826 159.1
[M+HCOO]- 481.79920 154.0
[M+CH3COO]- 495.81485 226.6
[M+Na-2H]- 457.77567 149.9
[M]+ 436.80045 185.1
[M]- 436.80155 185.1
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.