CID 9568099

Nsc 18082

Structural Information

Molecular Formula

C₁₄H₁₇N₃O₅S

SMILES

C/C(=N\NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C)/C2CCOC2=O

InChI

InChI=1S/C14H17N3O5S/c1-9(13-7-8-22-14(13)19)16-17-23(20,21)12-5-3-11(4-6-12)15-10(2)18/h3-6,13,17H,7-8H2,1-2H3,(H,15,18)/b16-9+

InChIKey

YHOQIKKFTVFVOM-CXUHLZMHSA-N

Compound name

N-[4-[[(E)-1-(2-oxooxolan-3-yl)ethylideneamino]sulfamoyl]phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 339.0889 Da
Monoisotopic Mass: 0.4
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]+	340.096176	176.4
[M+Na]+	362.078118	181.1
[M-H]-	338.081624	184.9
[M+NH4]+	357.122723	190.0
[M+K]+	378.052058	180.0
[M+H-H2O]+	322.086160	169.1
[M+HCOO]-	384.087101	195.4
[M+CH3COO]-	398.102751	214.0
[M+Na-2H]-	360.063566	178.5
[M]+	339.08835142	178.4
[M]-	339.08944858	178.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.