CID 82996106

1546616-84-5

Structural Information

Molecular Formula
C9H8BrN3O
SMILES
C1=CC(=CC=C1C2C(=O)NC(=N2)N)Br
InChI
InChI=1S/C9H8BrN3O/c10-6-3-1-5(2-4-6)7-8(14)13-9(11)12-7/h1-4,7H,(H3,11,12,13,14)
InChIKey
NTYXOZZUZHZRMX-UHFFFAOYSA-N
Compound name
2-amino-4-(4-bromophenyl)-1,4-dihydroimidazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.98508 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.992356 146.2
[M+Na]+ 275.974298 158.5
[M-H]- 251.977804 151.9
[M+NH4]+ 271.018903 165.1
[M+K]+ 291.948238 145.8
[M+H-H2O]+ 235.982340 144.8
[M+HCOO]- 297.983281 166.0
[M+CH3COO]- 311.998931 189.0
[M+Na-2H]- 273.959746 151.2
[M]+ 252.98453142 161.1
[M]- 252.98562858 161.1
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.