CID 12894

Sulfamoxole

Structural Information

Molecular Formula

C₁₁H₁₃N₃O₃S

SMILES

CC1=C(OC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C

InChI

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

InChIKey

CYFLXLSBHQBMFT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 102
References: 7312
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	158.1
[M+Na]+	290.05697	167.9
[M-H]-	266.06047	165.1
[M+NH4]+	285.10157	173.8
[M+K]+	306.03091	165.0
[M+H-H2O]+	250.06501	151.2
[M+HCOO]-	312.06595	177.8
[M+CH3COO]-	326.08160	197.3
[M+Na-2H]-	288.04242	161.8
[M]+	267.06720	161.2
[M]-	267.06830	161.2

Literature stripe

literature stripe

Patent stripe

patents stripe