CID 135413497

Bropirimine

Structural Information

Molecular Formula
C10H8BrN3O
SMILES
C1=CC=C(C=C1)C2=C(C(=O)NC(=N2)N)Br
InChI
InChI=1S/C10H8BrN3O/c11-7-8(6-4-2-1-3-5-6)13-10(12)14-9(7)15/h1-5H,(H3,12,13,14,15)
InChIKey
CIUUIPMOFZIWIZ-UHFFFAOYSA-N
Compound name
2-amino-5-bromo-4-phenyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

118
References

18815
Patents

264.98508 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.99236 146.4
[M+Na]+ 287.97430 159.0
[M-H]- 263.97780 152.1
[M+NH4]+ 283.01890 163.1
[M+K]+ 303.94824 145.7
[M+H-H2O]+ 247.98234 144.7
[M+HCOO]- 309.98328 166.3
[M+CH3COO]- 323.99893 160.5
[M+Na-2H]- 285.95975 154.4
[M]+ 264.98453 162.3
[M]- 264.98563 162.3
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