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

2
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]+	268.075026	157.4
[M+Na]+	290.056968	166.4
[M-H]-	266.060474	164.6
[M+NH4]+	285.101573	173.2
[M+K]+	306.030908	163.9
[M+H-H2O]+	250.065010	150.3
[M+HCOO]-	312.065951	177.8
[M+CH3COO]-	326.081601	196.6
[M+Na-2H]-	288.042416	162.9
[M]+	267.06720142	161.2
[M]-	267.06829858	161.2

Literature stripe

literature stripe

Patent stripe

patents stripe