CID 2810870

Oprea1_195167

Structural Information

Molecular Formula

C₁₄H₁₆N₄O₃S

SMILES

C1CN(C(=O)N1)CCNS(=O)(=O)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C14H16N4O3S/c19-14-16-7-9-18(14)10-8-17-22(20,21)12-5-1-3-11-4-2-6-15-13(11)12/h1-6,17H,7-10H2,(H,16,19)

InChIKey

YQMPWNYYAYBJKR-UHFFFAOYSA-N

Compound name

N-[2-(2-oxoimidazolidin-1-yl)ethyl]quinoline-8-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 320.0943 Da
Monoisotopic Mass: 0.3
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]+	321.101576	171.6
[M+Na]+	343.083518	179.2
[M-H]-	319.087024	173.9
[M+NH4]+	338.128123	184.0
[M+K]+	359.057458	173.6
[M+H-H2O]+	303.091560	163.7
[M+HCOO]-	365.092501	184.0
[M+CH3COO]-	379.108151	201.4
[M+Na-2H]-	341.068966	175.5
[M]+	320.09375142	171.4
[M]-	320.09484858	171.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.