CID 163064

Mobil 10,027

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₄S

SMILES

CCS(=O)(=O)NC1=C(C=C(C=C1C)OC(=O)NC)C

InChI

InChI=1S/C12H18N2O4S/c1-5-19(16,17)14-11-8(2)6-10(7-9(11)3)18-12(15)13-4/h6-7,14H,5H2,1-4H3,(H,13,15)

InChIKey

VAHSXEQRMYBGGI-UHFFFAOYSA-N

Compound name

[4-(ethylsulfonylamino)-3,5-dimethylphenyl] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 286.09872 Da
Monoisotopic Mass: 1.6
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]+	287.105996	162.7
[M+Na]+	309.087938	170.1
[M-H]-	285.091444	166.8
[M+NH4]+	304.132543	178.7
[M+K]+	325.061878	167.5
[M+H-H2O]+	269.095980	156.0
[M+HCOO]-	331.096921	181.5
[M+CH3COO]-	345.112571	203.4
[M+Na-2H]-	307.073386	165.0
[M]+	286.09817142	167.6
[M]-	286.09926858	167.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe