CID 106354

68003-42-9

Structural Information

Molecular Formula
C12H15N3O4S
SMILES
CC1=NN(C(=O)C1)C2=CC(=CC=C2)S(=O)(=O)NCCO
InChI
InChI=1S/C12H15N3O4S/c1-9-7-12(17)15(14-9)10-3-2-4-11(8-10)20(18,19)13-5-6-16/h2-4,8,13,16H,5-7H2,1H3
InChIKey
NYCFXTHZFLCNSY-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.07834 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.08562 165.7
[M+Na]+ 320.06756 174.3
[M-H]- 296.07106 169.3
[M+NH4]+ 315.11216 179.7
[M+K]+ 336.04150 170.1
[M+H-H2O]+ 280.07560 158.5
[M+HCOO]- 342.07654 181.7
[M+CH3COO]- 356.09219 197.8
[M+Na-2H]- 318.05301 167.6
[M]+ 297.07779 168.4
[M]- 297.07889 168.4
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.