CID 16227211

4-(5-formylfuran-2-yl)-n-methylbenzene-1-sulfonamide

Structural Information

Molecular Formula

C₁₂H₁₁NO₄S

SMILES

CNS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=O

InChI

InChI=1S/C12H11NO4S/c1-13-18(15,16)11-5-2-9(3-6-11)12-7-4-10(8-14)17-12/h2-8,13H,1H3

InChIKey

UMXYHHTUJITSCV-UHFFFAOYSA-N

Compound name

4-(5-formylfuran-2-yl)-N-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 265.0409 Da
Monoisotopic Mass: 1.4
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]+	266.048176	156.3
[M+Na]+	288.030118	166.0
[M-H]-	264.033624	164.9
[M+NH4]+	283.074723	173.8
[M+K]+	304.004058	163.5
[M+H-H2O]+	248.038160	150.4
[M+HCOO]-	310.039101	177.2
[M+CH3COO]-	324.054751	193.2
[M+Na-2H]-	286.015566	161.0
[M]+	265.04035142	161.5
[M]-	265.04144858	161.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.