CID 221324

64308-51-6

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₅S

SMILES

C1COCCN1NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H13N3O5S/c14-13(15)9-1-3-10(4-2-9)19(16,17)11-12-5-7-18-8-6-12/h1-4,11H,5-8H2

InChIKey

LXDVDPNKLHIGAZ-UHFFFAOYSA-N

Compound name

N-morpholin-4-yl-4-nitrobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 287.0576 Da
Monoisotopic Mass: 0.6
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]+	288.064876	156.8
[M+Na]+	310.046818	160.7
[M-H]-	286.050324	162.2
[M+NH4]+	305.091423	168.1
[M+K]+	326.020758	155.0
[M+H-H2O]+	270.054860	153.2
[M+HCOO]-	332.055801	172.4
[M+CH3COO]-	346.071451	189.9
[M+Na-2H]-	308.032266	165.3
[M]+	287.05705142	153.4
[M]-	287.05814858	153.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.