CID 71414471

849200-66-4

Structural Information

Molecular Formula

C₆H₄BrN₃O

SMILES

C1=C(N2C=NC=C2C(=O)N1)Br

InChI

InChI=1S/C6H4BrN3O/c7-5-2-9-6(11)4-1-8-3-10(4)5/h1-3H,(H,9,11)

InChIKey

XVJRFSSTVUERJS-UHFFFAOYSA-N

Compound name

5-bromo-7H-imidazo[1,5-a]pyrazin-8-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 212.95377 Da
Monoisotopic Mass: 0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	213.96105	137.9
[M+Na]+	235.94299	142.4
[M+NH4]+	230.98759	142.0
[M+K]+	251.91693	144.0
[M-H]-	211.94649	136.6
[M+Na-2H]-	233.92844	141.0
[M]+	212.95322	136.8
[M]-	212.95432	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe