CID 9601307

N'-(2-furylmethylene)-4-methylbenzenesulfonohydrazide

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₃S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=CC=CO2

InChI

InChI=1S/C12H12N2O3S/c1-10-4-6-12(7-5-10)18(15,16)14-13-9-11-3-2-8-17-11/h2-9,14H,1H3/b13-9+

InChIKey

QHAQHUCZLYGDLT-UKTHLTGXSA-N

Compound name

N-[(E)-furan-2-ylmethylideneamino]-4-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 264.05685 Da
Monoisotopic Mass: 2.3
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]+	265.064126	157.4
[M+Na]+	287.046068	166.0
[M-H]-	263.049574	166.9
[M+NH4]+	282.090673	175.1
[M+K]+	303.020008	163.7
[M+H-H2O]+	247.054110	150.6
[M+HCOO]-	309.055051	180.5
[M+CH3COO]-	323.070701	196.7
[M+Na-2H]-	285.031516	163.4
[M]+	264.05630142	161.8
[M]-	264.05739858	161.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.