CID 10335611

N4-acetyl-5-oh-sulfamethoxazole

Structural Information

Molecular Formula

C₁₂H₁₃N₃O₅S

SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NOC(=C2)CO

InChI

InChI=1S/C12H13N3O5S/c1-8(17)13-9-2-4-11(5-3-9)21(18,19)15-12-6-10(7-16)20-14-12/h2-6,16H,7H2,1H3,(H,13,17)(H,14,15)

InChIKey

YKWZTWOYFWCVKH-UHFFFAOYSA-N

Compound name

N-[4-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]sulfamoyl]phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 311.0576 Da
Monoisotopic Mass: -0.5
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]+	312.064876	167.3
[M+Na]+	334.046818	174.7
[M-H]-	310.050324	172.9
[M+NH4]+	329.091423	180.0
[M+K]+	350.020758	172.3
[M+H-H2O]+	294.054860	160.0
[M+HCOO]-	356.055801	185.3
[M+CH3COO]-	370.071451	201.4
[M+Na-2H]-	332.032266	171.4
[M]+	311.05705142	170.9
[M]-	311.05814858	170.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.