CID 31771

Sulfatroxazole

Structural Information

Molecular Formula

C₁₁H₁₃N₃O₃S

SMILES

CC1=C(ON=C1NS(=O)(=O)C2=CC=C(C=C2)N)C

InChI

InChI=1S/C11H13N3O3S/c1-7-8(2)17-13-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,12H2,1-2H3,(H,13,14)

InChIKey

DAUFGBIKKGOPJA-UHFFFAOYSA-N

Compound name

4-amino-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 529
Patents: 267.06775 Da
Monoisotopic Mass: 1.3
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	159.0
[M+Na]+	290.05697	169.5
[M+NH4]+	285.10157	165.4
[M+K]+	306.03091	165.5
[M-H]-	266.06047	162.7
[M+Na-2H]-	288.04242	164.3
[M]+	267.06720	161.8
[M]-	267.06830	161.8

Literature stripe

literature stripe

Patent stripe

patents stripe