CID 154699913

Ns00117635

Structural Information

Molecular Formula

C₁₆H₁₅N₃O₃S

SMILES

C1=CC=C(C=C1)N2C(=CC=N2)NS(=O)(=O)C3=CC=C(C=C3)CO

InChI

InChI=1S/C16H15N3O3S/c20-12-13-6-8-15(9-7-13)23(21,22)18-16-10-11-17-19(16)14-4-2-1-3-5-14/h1-11,18,20H,12H2

InChIKey

QWBFRRFWEZMWIB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 329.0834 Da
Monoisotopic Mass: 1.3
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]+	330.090676	174.1
[M+Na]+	352.072618	182.6
[M-H]-	328.076124	180.8
[M+NH4]+	347.117223	186.3
[M+K]+	368.046558	176.7
[M+H-H2O]+	312.080660	165.5
[M+HCOO]-	374.081601	191.4
[M+CH3COO]-	388.097251	202.8
[M+Na-2H]-	350.058066	177.9
[M]+	329.08285142	175.9
[M]-	329.08394858	175.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.