CID 8309

Sulfapyrazine

Structural Information

Molecular Formula

C₁₀H₁₀N₄O₂S

SMILES

C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CN=C2

InChI

InChI=1S/C10H10N4O2S/c11-8-1-3-9(4-2-8)17(15,16)14-10-7-12-5-6-13-10/h1-7H,11H2,(H,13,14)

InChIKey

YEAICDDXRUOCKJ-UHFFFAOYSA-N

Compound name

4-amino-N-pyrazin-2-ylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1941
Patents: 250.05244 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]+	251.059716	151.9
[M+Na]+	273.041658	160.6
[M-H]-	249.045164	156.0
[M+NH4]+	268.086263	165.7
[M+K]+	289.015598	155.6
[M+H-H2O]+	233.049700	143.5
[M+HCOO]-	295.050641	170.4
[M+CH3COO]-	309.066291	192.6
[M+Na-2H]-	271.027106	159.3
[M]+	250.05189142	151.5
[M]-	250.05298858	151.5

Literature stripe

literature stripe

Patent stripe

patents stripe