CID 23585443

Azd-1678

Structural Information

Molecular Formula

C₁₁H₈Cl₂FN₃O₃S

SMILES

COC1=NC(=CN=C1NS(=O)(=O)C2=C(C(=CC=C2)Cl)Cl)F

InChI

InChI=1S/C11H8Cl2FN3O3S/c1-20-11-10(15-5-8(14)16-11)17-21(18,19)7-4-2-3-6(12)9(7)13/h2-5H,1H3,(H,15,17)

InChIKey

NWSUDJQTTGDPIR-UHFFFAOYSA-N

Compound name

2,3-dichloro-N-(5-fluoro-3-methoxypyrazin-2-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 9
Patents: 350.96475 Da
Monoisotopic Mass: 2.6
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]+	351.97203	171.1
[M+Na]+	373.95397	184.9
[M+NH4]+	368.99857	177.2
[M+K]+	389.92791	176.8
[M-H]-	349.95747	171.9
[M+Na-2H]-	371.93942	177.9
[M]+	350.96420	174.2
[M]-	350.96530	174.2

Literature stripe

literature stripe

Patent stripe

patents stripe