CID 135435147

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

Structural Information

Molecular Formula
C10H8BrN3O2
SMILES
C1=CC(=CC=C1C2=C(C(=O)NC(=N2)N)Br)O
InChI
InChI=1S/C10H8BrN3O2/c11-7-8(13-10(12)14-9(7)16)5-1-3-6(15)4-2-5/h1-4,15H,(H3,12,13,14,16)
InChIKey
BPQDHWHENINUML-UHFFFAOYSA-N
Compound name
2-amino-5-bromo-4-(4-hydroxyphenyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

280.97998 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.987256 149.9
[M+Na]+ 303.969198 162.6
[M-H]- 279.972704 154.6
[M+NH4]+ 299.013803 165.5
[M+K]+ 319.943138 149.1
[M+H-H2O]+ 263.977240 148.1
[M+HCOO]- 325.978181 168.5
[M+CH3COO]- 339.993831 192.8
[M+Na-2H]- 301.954646 156.6
[M]+ 280.97943142 165.7
[M]- 280.98052858 165.7
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.