CID 68317509

3-methoxy-n-methylbenzene-1-sulfonamide

Structural Information

Molecular Formula

C₈H₁₁NO₃S

SMILES

CNS(=O)(=O)C1=CC=CC(=C1)OC

InChI

InChI=1S/C8H11NO3S/c1-9-13(10,11)8-5-3-4-7(6-8)12-2/h3-6,9H,1-2H3

InChIKey

BRSXSIBTQORYDY-UHFFFAOYSA-N

Compound name

3-methoxy-N-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 201.04596 Da
Monoisotopic Mass: 0.6
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]+	202.053236	139.4
[M+Na]+	224.035178	148.0
[M-H]-	200.038684	143.6
[M+NH4]+	219.079783	158.9
[M+K]+	240.009118	145.7
[M+H-H2O]+	184.043220	133.6
[M+HCOO]-	246.044161	159.3
[M+CH3COO]-	260.059811	182.9
[M+Na-2H]-	222.020626	145.2
[M]+	201.04541142	143.0
[M]-	201.04650858	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe