CID 729483

307543-71-1

Structural Information

Molecular Formula

C₁₅H₁₁NO₃S₂

SMILES

C1=CC=C2C(=C1)C=CC(=C2C=NS(=O)(=O)C3=CC=CS3)O

InChI

InChI=1S/C15H11NO3S2/c17-14-8-7-11-4-1-2-5-12(11)13(14)10-16-21(18,19)15-6-3-9-20-15/h1-10,17H

InChIKey

TVIVJHZHPKNDAQ-UHFFFAOYSA-N

Compound name

N-[(2-hydroxynaphthalen-1-yl)methylidene]thiophene-2-sulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 53
References: 183
Patents: 317.01804 Da
Monoisotopic Mass: 3.7
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]+	318.02532	170.7
[M+Na]+	340.00726	181.8
[M-H]-	316.01076	179.1
[M+NH4]+	335.05186	188.6
[M+K]+	355.98120	175.3
[M+H-H2O]+	300.01530	164.9
[M+HCOO]-	362.01624	187.0
[M+CH3COO]-	376.03189	183.1
[M+Na-2H]-	337.99271	175.6
[M]+	317.01749	176.3
[M]-	317.01859	176.3

Literature stripe

literature stripe

Patent stripe

patents stripe