CID 2820485

Maybridge3_003587

Structural Information

Molecular Formula

C₁₂H₁₃ClN₂O₄S₂

SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N=S(=O)(C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H13ClN2O4S2/c1-8-12(9(2)19-14-8)21(17,18)15-20(3,16)11-6-4-10(13)5-7-11/h4-7H,1-3H3

InChIKey

FOZJWOYPNVGHJF-UHFFFAOYSA-N

Compound name

N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 348.00052 Da
Monoisotopic Mass: 3.0
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]+	349.007796	177.8
[M+Na]+	370.989738	189.4
[M-H]-	346.993244	186.6
[M+NH4]+	366.034343	192.6
[M+K]+	386.963678	184.9
[M+H-H2O]+	330.997780	172.4
[M+HCOO]-	392.998721	187.3
[M+CH3COO]-	407.014371	206.7
[M+Na-2H]-	368.975186	180.7
[M]+	347.99997142	186.5
[M]-	348.00106858	186.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.