CID 195841

Las-31180

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₃S

SMILES

CN1C=C(C(=O)C2=CC=CC=C21)NS(=O)(=O)C

InChI

InChI=1S/C11H12N2O3S/c1-13-7-9(12-17(2,15)16)11(14)8-5-3-4-6-10(8)13/h3-7,12H,1-2H3

InChIKey

LSIYNVMXGMDGMG-UHFFFAOYSA-N

Compound name

N-(1-methyl-4-oxoquinolin-3-yl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 252.05687 Da
Monoisotopic Mass: 0.9
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]+	253.06415	151.4
[M+Na]+	275.04609	162.2
[M-H]-	251.04959	155.6
[M+NH4]+	270.09069	169.0
[M+K]+	291.02003	158.1
[M+H-H2O]+	235.05413	145.1
[M+HCOO]-	297.05507	169.2
[M+CH3COO]-	311.07072	193.9
[M+Na-2H]-	273.03154	158.3
[M]+	252.05632	155.7
[M]-	252.05742	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe