CID 2806210

Maybridge3_001079

Structural Information

Molecular Formula

C₁₄H₁₂N₄O₂S

SMILES

CC1=NC=CN=C1C2=CC=NN2S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C14H12N4O2S/c1-11-14(16-10-9-15-11)13-7-8-17-18(13)21(19,20)12-5-3-2-4-6-12/h2-10H,1H3

InChIKey

FSXCWLCMOHNQDE-UHFFFAOYSA-N

Compound name

2-[2-(benzenesulfonyl)pyrazol-3-yl]-3-methylpyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 300.06808 Da
Monoisotopic Mass: 1.4
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]+	301.075356	168.3
[M+Na]+	323.057298	179.6
[M-H]-	299.060804	174.2
[M+NH4]+	318.101903	180.2
[M+K]+	339.031238	173.8
[M+H-H2O]+	283.065340	158.9
[M+HCOO]-	345.066281	183.8
[M+CH3COO]-	359.081931	179.8
[M+Na-2H]-	321.042746	171.9
[M]+	300.06753142	171.4
[M]-	300.06862858	171.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.