CID 43154654

4-n-methyl-sulfamethoxazole

Structural Information

Molecular Formula

C₁₁H₁₃N₃O₃S

SMILES

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

InChI

InChI=1S/C11H13N3O3S/c1-8-7-11(13-17-8)14-18(15,16)10-5-3-9(12-2)4-6-10/h3-7,12H,1-2H3,(H,13,14)

InChIKey

ZRXDSRHCGYXVTI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 267.06775 Da
Monoisotopic Mass: 1.6
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]+	268.07503	158.5
[M+Na]+	290.05697	168.9
[M+NH4]+	285.10157	165.0
[M+K]+	306.03091	164.5
[M-H]-	266.06047	162.3
[M+Na-2H]-	288.04242	164.5
[M]+	267.06720	161.3
[M]-	267.06830	161.3

Literature stripe

literature stripe

Patent stripe

patents stripe