CID 66634

Benzenesulfonamide, 3-(4,5-dihydro-3-methyl-5-oxo-1h-pyrazol-1-yl)-

Structural Information

Molecular Formula
C10H11N3O3S
SMILES
CC1=NN(C(=O)C1)C2=CC(=CC=C2)S(=O)(=O)N
InChI
InChI=1S/C10H11N3O3S/c1-7-5-10(14)13(12-7)8-3-2-4-9(6-8)17(11,15)16/h2-4,6H,5H2,1H3,(H2,11,15,16)
InChIKey
ASVVGQURNHNITH-UHFFFAOYSA-N
Compound name
3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

43
Patents

253.05211 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.05939 154.4
[M+Na]+ 276.04133 164.8
[M-H]- 252.04483 159.3
[M+NH4]+ 271.08593 170.9
[M+K]+ 292.01527 160.8
[M+H-H2O]+ 236.04937 147.6
[M+HCOO]- 298.05031 171.8
[M+CH3COO]- 312.06596 191.3
[M+Na-2H]- 274.02678 156.3
[M]+ 253.05156 155.9
[M]- 253.05266 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe