CID 170801

49701-24-8

Structural Information

Molecular Formula

C₉H₁₄N₂O₄S

SMILES

CNS(=O)(=O)C1=C(C=C(C(=C1)OC)N)OC

InChI

InChI=1S/C9H14N2O4S/c1-11-16(12,13)9-5-7(14-2)6(10)4-8(9)15-3/h4-5,11H,10H2,1-3H3

InChIKey

CISVVDNATRQDNU-UHFFFAOYSA-N

Compound name

4-amino-2,5-dimethoxy-N-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 102
Patents: 246.06743 Da
Monoisotopic Mass: 0.1
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]+	247.07471	152.8
[M+Na]+	269.05665	162.0
[M+NH4]+	264.10125	158.9
[M+K]+	285.03059	156.7
[M-H]-	245.06015	153.4
[M+Na-2H]-	267.04210	156.7
[M]+	246.06688	154.4
[M]-	246.06798	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe