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]+ 253.99236 146.2
[M+Na]+ 275.97430 158.5
[M-H]- 251.97780 151.9
[M+NH4]+ 271.01890 165.1
[M+K]+ 291.94824 145.8
[M+H-H2O]+ 235.98234 144.8
[M+HCOO]- 297.98328 166.0
[M+CH3COO]- 311.99893 189.0
[M+Na-2H]- 273.95975 151.2
[M]+ 252.98453 161.1
[M]- 252.98563 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.