CID 68427

Metachloridine

Structural Information

Molecular Formula

C₁₀H₉ClN₄O₂S

SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC2=NC=C(C=N2)Cl)N

InChI

InChI=1S/C10H9ClN4O2S/c11-7-5-13-10(14-6-7)15-18(16,17)9-3-1-2-8(12)4-9/h1-6H,12H2,(H,13,14,15)

InChIKey

HWRUOPCDGPXWRR-UHFFFAOYSA-N

Compound name

3-amino-N-(5-chloropyrimidin-2-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 2
Patents: 284.0135 Da
Monoisotopic Mass: 1.1
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]+	285.02078	158.7
[M+Na]+	307.00272	171.8
[M+NH4]+	302.04732	165.7
[M+K]+	322.97666	164.1
[M-H]-	283.00622	161.7
[M+Na-2H]-	304.98817	167.0
[M]+	284.01295	162.0
[M]-	284.01405	162.0

Literature stripe

literature stripe

Patent stripe

patents stripe