CID 3054822

Benzenesulfonamide, 4-chloro-n-(5-methyl-1-(2-propynyl)-1h-imidazol-2-yl)-

Structural Information

Molecular Formula

C₁₃H₁₂ClN₃O₂S

SMILES

CC1=CN=C(N1CC#C)NS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H12ClN3O2S/c1-3-8-17-10(2)9-15-13(17)16-20(18,19)12-6-4-11(14)5-7-12/h1,4-7,9H,8H2,2H3,(H,15,16)

InChIKey

DSUYSERXUIUBIL-UHFFFAOYSA-N

Compound name

4-chloro-N-(5-methyl-1-prop-2-ynylimidazol-2-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 309.03387 Da
Monoisotopic Mass: 2.1
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]+	310.041146	176.3
[M+Na]+	332.023088	188.8
[M-H]-	308.026594	179.2
[M+NH4]+	327.067693	189.6
[M+K]+	347.997028	181.9
[M+H-H2O]+	292.031130	162.8
[M+HCOO]-	354.032071	184.1
[M+CH3COO]-	368.047721	207.2
[M+Na-2H]-	330.008536	176.0
[M]+	309.03332142	175.1
[M]-	309.03441858	175.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.