CID 11471557

92504-03-5

Structural Information

Molecular Formula

C₈H₁₁N₃O₄S

SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NCCN

InChI

InChI=1S/C8H11N3O4S/c9-5-6-10-16(14,15)8-4-2-1-3-7(8)11(12)13/h1-4,10H,5-6,9H2

InChIKey

YNQAHCRZFJEDMN-UHFFFAOYSA-N

Compound name

N-(2-aminoethyl)-2-nitrobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 245.04703 Da
Monoisotopic Mass: -0.2
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]+	246.05431	146.1
[M+Na]+	268.03625	155.2
[M+NH4]+	263.08085	152.3
[M+K]+	284.01019	152.5
[M-H]-	244.03975	148.1
[M+Na-2H]-	266.02170	150.8
[M]+	245.04648	147.9
[M]-	245.04758	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe