CID 706169

955-15-7

Structural Information

Molecular Formula

C₁₁H₁₃N₃O₂S

SMILES

CC1=CC(=NN1C2=CC=C(C=C2)S(=O)(=O)N)C

InChI

InChI=1S/C11H13N3O2S/c1-8-7-9(2)14(13-8)10-3-5-11(6-4-10)17(12,15)16/h3-7H,1-2H3,(H2,12,15,16)

InChIKey

BJJWJFXXXQZNIU-UHFFFAOYSA-N

Compound name

4-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 6
Patents: 251.07285 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]+	252.080126	155.2
[M+Na]+	274.062068	166.2
[M-H]-	250.065574	160.4
[M+NH4]+	269.106673	172.1
[M+K]+	290.036008	161.8
[M+H-H2O]+	234.070110	148.2
[M+HCOO]-	296.071051	173.3
[M+CH3COO]-	310.086701	192.6
[M+Na-2H]-	272.047516	157.3
[M]+	251.07230142	157.8
[M]-	251.07339858	157.8

Literature stripe

literature stripe

Patent stripe

patents stripe