CID 3067698

81865-20-5

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₄S

SMILES

CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(C)C

InChI

InChI=1S/C12H18N2O4S/c1-4-18-12(15)13-10-5-7-11(8-6-10)19(16,17)14-9(2)3/h5-9,14H,4H2,1-3H3,(H,13,15)

InChIKey

LOQYWMRGJGVYGX-UHFFFAOYSA-N

Compound name

ethyl N-[4-(propan-2-ylsulfamoyl)phenyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	163.5
[M+Na]+	309.087938	168.9
[M-H]-	285.091444	166.9
[M+NH4]+	304.132543	178.8
[M+K]+	325.061878	166.7
[M+H-H2O]+	269.095980	156.4
[M+HCOO]-	331.096921	181.4
[M+CH3COO]-	345.112571	201.7
[M+Na-2H]-	307.073386	166.0
[M]+	286.09817142	167.0
[M]-	286.09926858	167.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.