CID 100923556

Nimesulide hydroxylated and reduced (m3)

Structural Information

Molecular Formula
C13H14N2O4S
SMILES
CS(=O)(=O)NC1=C(C=C(C=C1)N)OC2=CC=C(C=C2)O
InChI
InChI=1S/C13H14N2O4S/c1-20(17,18)15-12-7-2-9(14)8-13(12)19-11-5-3-10(16)4-6-11/h2-8,15-16H,14H2,1H3
InChIKey
HEXWBYWZVPVBSN-UHFFFAOYSA-N
Compound name
N-[4-amino-2-(4-hydroxyphenoxy)phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.0674 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.07468 163.8
[M+Na]+ 317.05662 174.7
[M+NH4]+ 312.10122 170.2
[M+K]+ 333.03056 168.3
[M-H]- 293.06012 166.8
[M+Na-2H]- 315.04207 170.6
[M]+ 294.06685 166.5
[M]- 294.06795 166.5
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.