CID 135435127

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

Structural Information

Molecular Formula
C10H8BrN3O2
SMILES
C1=CC(=CC(=C1)O)C2=C(C(=O)NC(=N2)N)Br
InChI
InChI=1S/C10H8BrN3O2/c11-7-8(13-10(12)14-9(7)16)5-2-1-3-6(15)4-5/h1-4,15H,(H3,12,13,14,16)
InChIKey
CUDNQOMFBZIEEA-UHFFFAOYSA-N
Compound name
2-amino-5-bromo-4-(3-hydroxyphenyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
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]+ 281.98726 149.9
[M+Na]+ 303.96920 162.6
[M-H]- 279.97270 154.6
[M+NH4]+ 299.01380 165.5
[M+K]+ 319.94314 149.1
[M+H-H2O]+ 263.97724 148.1
[M+HCOO]- 325.97818 168.5
[M+CH3COO]- 339.99383 192.8
[M+Na-2H]- 301.95465 156.6
[M]+ 280.97943 165.7
[M]- 280.98053 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.