CID 135480618

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

Structural Information

Molecular Formula
C11H10BrN3O
SMILES
C1=CC=C(C=C1)CC2=C(C(=O)NC(=N2)N)Br
InChI
InChI=1S/C11H10BrN3O/c12-9-8(14-11(13)15-10(9)16)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,13,14,15,16)
InChIKey
USKQHNKZJKSXGL-UHFFFAOYSA-N
Compound name
2-amino-4-benzyl-5-bromo-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

279.00073 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.00801 150.9
[M+Na]+ 301.98995 163.0
[M-H]- 277.99345 156.3
[M+NH4]+ 297.03455 167.0
[M+K]+ 317.96389 149.5
[M+H-H2O]+ 261.99799 148.9
[M+HCOO]- 323.99893 170.4
[M+CH3COO]- 338.01458 194.6
[M+Na-2H]- 299.97540 158.3
[M]+ 279.00018 167.1
[M]- 279.00128 167.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.