CID 135480670

Chembl54060

Structural Information

Molecular Formula
C9H7BrN4O
SMILES
C1=CN=CC=C1C2=C(C(=O)NC(=N2)N)Br
InChI
InChI=1S/C9H7BrN4O/c10-6-7(5-1-3-12-4-2-5)13-9(11)14-8(6)15/h1-4H,(H3,11,13,14,15)
InChIKey
QIIMXDWNRPTCFV-UHFFFAOYSA-N
Compound name
2-amino-5-bromo-4-pyridin-4-yl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
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

No patent data available for this compound.