CID 10245060

Chembl432386

Structural Information

Molecular Formula

C₁₆H₁₅N₃O₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=NN2C3=CC=CC=C3

InChI

InChI=1S/C16H15N3O2S/c1-13-7-9-15(10-8-13)22(20,21)18-16-11-12-17-19(16)14-5-3-2-4-6-14/h2-12,18H,1H3

InChIKey

VVUQNTKYPPFMID-UHFFFAOYSA-N

Compound name

4-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 313.0885 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	314.09578	170.5
[M+Na]+	336.07772	184.2
[M+NH4]+	331.12232	177.9
[M+K]+	352.05166	177.2
[M-H]-	312.08122	175.2
[M+Na-2H]-	334.06317	180.4
[M]+	313.08795	174.2
[M]-	313.08905	174.2

Literature stripe

literature stripe

Patent stripe

patents stripe