CID 117880387

8-bromopyrido[3,4-b]pyrazin-5(6h)-one

Structural Information

Molecular Formula

C₇H₄BrN₃O

SMILES

C1=CN=C2C(=N1)C(=CNC2=O)Br

InChI

InChI=1S/C7H4BrN3O/c8-4-3-11-7(12)6-5(4)9-1-2-10-6/h1-3H,(H,11,12)

InChIKey

PTTYPPCRDHQSKT-UHFFFAOYSA-N

Compound name

8-bromo-6H-pyrido[3,4-b]pyrazin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 224.95377 Da
Monoisotopic Mass: 0.0
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]+	225.96105	137.2
[M+Na]+	247.94299	142.7
[M+NH4]+	242.98759	141.6
[M+K]+	263.91693	142.5
[M-H]-	223.94649	136.6
[M+Na-2H]-	245.92844	141.4
[M]+	224.95322	136.6
[M]-	224.95432	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe