CID 17956021

5bromo-3-phenoxypyrazin-2-amine

Structural Information

Molecular Formula

C₁₀H₈BrN₃O

SMILES

C1=CC=C(C=C1)OC2=NC(=CN=C2N)Br

InChI

InChI=1S/C10H8BrN3O/c11-8-6-13-9(12)10(14-8)15-7-4-2-1-3-5-7/h1-6H,(H2,12,13)

InChIKey

OVCUHGXXMNQADT-UHFFFAOYSA-N

Compound name

5-bromo-3-phenoxypyrazin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 264.98508 Da
Monoisotopic Mass: 2.3
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]+	265.99236	149.0
[M+Na]+	287.97430	154.1
[M+NH4]+	283.01890	153.5
[M+K]+	303.94824	153.4
[M-H]-	263.97780	151.2
[M+Na-2H]-	285.95975	155.2
[M]+	264.98453	149.2
[M]-	264.98563	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe