CID 162661006

N-dimethyl-sulfamethoxazole

Structural Information

Molecular Formula

C₁₂H₁₅N₃O₃S

SMILES

CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C12H15N3O3S/c1-9-8-12(13-18-9)14-19(16,17)11-6-4-10(5-7-11)15(2)3/h4-8H,1-3H3,(H,13,14)

InChIKey

HLKGYQLPLBQMTR-UHFFFAOYSA-N

Compound name

4-(dimethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 0
Patents: 281.0834 Da
Monoisotopic Mass: 1.7
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]+	282.090676	162.3
[M+Na]+	304.072618	170.9
[M-H]-	280.076124	170.8
[M+NH4]+	299.117223	178.1
[M+K]+	320.046558	169.7
[M+H-H2O]+	264.080660	154.8
[M+HCOO]-	326.081601	182.8
[M+CH3COO]-	340.097251	202.9
[M+Na-2H]-	302.058066	166.5
[M]+	281.08285142	167.6
[M]-	281.08394858	167.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.