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
1
Annotation Hits

0
References

0
Patents

311.0576 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.06488 168.1
[M+Na]+ 334.04682 176.4
[M+NH4]+ 329.09142 172.5
[M+K]+ 350.02076 174.0
[M-H]- 310.05032 169.9
[M+Na-2H]- 332.03227 172.1
[M]+ 311.05705 169.8
[M]- 311.05815 169.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.