PubChemLite - 3-(2,2-dichloroethenyl)-n-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2,2-dimethylcyclopropane-1-carboxamide (C20H22Cl2N4O3S)

Structural Information

Molecular Formula

SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3C(C3(C)C)C=C(Cl)Cl)C

InChI

InChI=1S/C20H22Cl2N4O3S/c1-11-9-12(2)24-19(23-11)26-30(28,29)14-7-5-13(6-8-14)25-18(27)17-15(10-16(21)22)20(17,3)4/h5-10,15,17H,1-4H3,(H,25,27)(H,23,24,26)

InChIKey

RHQQQCIKXZALBM-UHFFFAOYSA-N

Compound name

3-(2,2-dichloroethenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide

Related CIDs

2D Structure

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]+	469.08626	196.3
[M+Na]+	491.06820	205.4
[M-H]-	467.07170	203.4
[M+NH4]+	486.11280	201.0
[M+K]+	507.04214	197.9
[M+H-H2O]+	451.07624	190.3
[M+HCOO]-	513.07718	202.0
[M+CH3COO]-	527.09283	235.1
[M+Na-2H]-	489.05365	197.0
[M]+	468.07843	205.2
[M]-	468.07953	205.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

469.08626

196.3

[M+Na]+

491.06820

205.4

[M-H]-

467.07170

203.4

[M+NH4]+

486.11280

201.0

[M+K]+

507.04214

197.9

[M+H-H2O]+

451.07624

190.3

[M+HCOO]-

513.07718

202.0

[M+CH3COO]-

527.09283

235.1

[M+Na-2H]-

489.05365

197.0

[M]+

468.07843

205.2

[M]-

468.07953

205.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

3-(2,2-dichloroethenyl)-n-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2,2-dimethylcyclopropane-1-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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