CID 135480666

Chembl51797

Structural Information

Molecular Formula
C9H7BrN4O
SMILES
C1=CC=NC(=C1)C2=C(C(=O)NC(=N2)N)Br
InChI
InChI=1S/C9H7BrN4O/c10-6-7(5-3-1-2-4-12-5)13-9(11)14-8(6)15/h1-4H,(H3,11,13,14,15)
InChIKey
WCWMVUUWTZVWHC-UHFFFAOYSA-N
Compound name
2-amino-5-bromo-4-pyridin-2-yl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

265.98032 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.98760 145.3
[M+Na]+ 288.96954 158.3
[M-H]- 264.97304 149.8
[M+NH4]+ 284.01414 160.7
[M+K]+ 304.94348 144.9
[M+H-H2O]+ 248.97758 143.1
[M+HCOO]- 310.97852 164.3
[M+CH3COO]- 324.99417 159.1
[M+Na-2H]- 286.95499 153.9
[M]+ 265.97977 161.3
[M]- 265.98087 161.3
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

patents stripe