CID 1118418

300375-26-2

Structural Information

Molecular Formula

C₁₆H₁₇N₃O₅S

SMILES

C1COCCN1C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5S/c20-19(21)15-3-1-2-4-16(15)25(22,23)17-13-5-7-14(8-6-13)18-9-11-24-12-10-18/h1-8,17H,9-12H2

InChIKey

KSKAPXZQBIVNAS-UHFFFAOYSA-N

Compound name

N-(4-morpholin-4-ylphenyl)-2-nitrobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 363.0889 Da
Monoisotopic Mass: 2.0
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]+	364.096176	177.8
[M+Na]+	386.078118	181.0
[M-H]-	362.081624	186.0
[M+NH4]+	381.122723	185.6
[M+K]+	402.052058	173.7
[M+H-H2O]+	346.086160	172.5
[M+HCOO]-	408.087101	192.7
[M+CH3COO]-	422.102751	205.4
[M+Na-2H]-	384.063566	185.5
[M]+	363.08835142	174.3
[M]-	363.08944858	174.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.