CID 2056585

5626-92-6

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₃S

SMILES

C1=COC(=C1)CNS(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C11H12N2O3S/c12-9-3-5-11(6-4-9)17(14,15)13-8-10-2-1-7-16-10/h1-7,13H,8,12H2

InChIKey

GDZYTNDTKOAWSN-UHFFFAOYSA-N

Compound name

4-amino-N-(furan-2-ylmethyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 252.05687 Da
Monoisotopic Mass: 0.8
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]+	253.06415	154.4
[M+Na]+	275.04609	164.4
[M+NH4]+	270.09069	161.6
[M+K]+	291.02003	159.7
[M-H]-	251.04959	158.7
[M+Na-2H]-	273.03154	160.6
[M]+	252.05632	157.3
[M]-	252.05742	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe