CID 135429807

Nsc 18080

Structural Information

Molecular Formula

C₁₄H₁₅N₃O₄S

SMILES

COC1=C(C=CC(=C1)/C=N/NS(=O)(=O)C2=CC=C(C=C2)N)O

InChI

InChI=1S/C14H15N3O4S/c1-21-14-8-10(2-7-13(14)18)9-16-17-22(19,20)12-5-3-11(15)4-6-12/h2-9,17-18H,15H2,1H3/b16-9+

InChIKey

MVSWEYUVMLRICA-CXUHLZMHSA-N

Compound name

4-amino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 321.07834 Da
Monoisotopic Mass: 1.5
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]+	322.085616	169.8
[M+Na]+	344.067558	177.1
[M-H]-	320.071064	176.4
[M+NH4]+	339.112163	183.2
[M+K]+	360.041498	172.6
[M+H-H2O]+	304.075600	161.5
[M+HCOO]-	366.076541	190.9
[M+CH3COO]-	380.092191	210.0
[M+Na-2H]-	342.053006	174.7
[M]+	321.07779142	171.8
[M]-	321.07888858	171.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.