CID 199201

3833-54-3

Structural Information

Molecular Formula
C12H13N3O4S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(C=N2)OCCO
InChI
InChI=1S/C12H13N3O4S/c16-6-7-19-10-8-13-12(14-9-10)15-20(17,18)11-4-2-1-3-5-11/h1-5,8-9,16H,6-7H2,(H,13,14,15)
InChIKey
RVHKPYUHEMOMIZ-UHFFFAOYSA-N
Compound name
N-[5-(2-hydroxyethoxy)pyrimidin-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.06268 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.06996 163.1
[M+Na]+ 318.05190 174.6
[M+NH4]+ 313.09650 168.7
[M+K]+ 334.02584 168.0
[M-H]- 294.05540 164.4
[M+Na-2H]- 316.03735 170.4
[M]+ 295.06213 165.3
[M]- 295.06323 165.3
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.