CID 135435148

2-amino-5-bromo-6-(4-methoxyphenyl)pyrimidin-4(3h)-one

Structural Information

Molecular Formula
C11H10BrN3O2
SMILES
COC1=CC=C(C=C1)C2=C(C(=O)NC(=N2)N)Br
InChI
InChI=1S/C11H10BrN3O2/c1-17-7-4-2-6(3-5-7)9-8(12)10(16)15-11(13)14-9/h2-5H,1H3,(H3,13,14,15,16)
InChIKey
WJZYUNGLPMYBKS-UHFFFAOYSA-N
Compound name
2-amino-5-bromo-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.99564 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.00292 153.6
[M+Na]+ 317.98486 166.3
[M-H]- 293.98836 159.4
[M+NH4]+ 313.02946 169.3
[M+K]+ 333.95880 153.4
[M+H-H2O]+ 277.99290 151.4
[M+HCOO]- 339.99384 173.2
[M+CH3COO]- 354.00949 197.8
[M+Na-2H]- 315.97031 160.3
[M]+ 294.99509 171.4
[M]- 294.99619 171.4
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.