CID 391346

Nsc690376

Structural Information

Molecular Formula

C₁₆H₁₅N₃O₃S

SMILES

C1CCC2=C(C1)C=C(C(=O)N2NS(=O)(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C16H15N3O3S/c17-11-13-10-12-6-4-5-9-15(12)19(16(13)20)18-23(21,22)14-7-2-1-3-8-14/h1-3,7-8,10,18H,4-6,9H2

InChIKey

ZLZLUBXVYNWNKX-UHFFFAOYSA-N

Compound name

N-(3-cyano-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 329.0834 Da
Monoisotopic Mass: 1.9
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]+	330.090676	183.7
[M+Na]+	352.072618	193.9
[M-H]-	328.076124	188.4
[M+NH4]+	347.117223	195.6
[M+K]+	368.046558	186.9
[M+H-H2O]+	312.080660	169.3
[M+HCOO]-	374.081601	195.0
[M+CH3COO]-	388.097251	216.4
[M+Na-2H]-	350.058066	187.4
[M]+	329.08285142	178.7
[M]-	329.08394858	178.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.