CID 5215

Sulfadiazine

Structural Information

Molecular Formula

C₁₀H₁₀N₄O₂S

SMILES

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N

InChI

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

InChIKey

SEEPANYCNGTZFQ-UHFFFAOYSA-N

Compound name

4-amino-N-pyrimidin-2-ylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 4942
References: 68479
Patents: 250.05244 Da
Monoisotopic Mass: -0.1
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]+	251.05972	151.1
[M+Na]+	273.04166	163.1
[M+NH4]+	268.08626	157.9
[M+K]+	289.01560	156.2
[M-H]-	249.04516	154.0
[M+Na-2H]-	271.02711	159.7
[M]+	250.05189	153.9
[M]-	250.05299	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe