CID 6611417

N-(2-aminoethyl)-4-nitrobenzene-1-sulfonamide hydrochloride

Structural Information

Molecular Formula
C8H11N3O4S
SMILES
C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NCCN
InChI
InChI=1S/C8H11N3O4S/c9-5-6-10-16(14,15)8-3-1-7(2-4-8)11(12)13/h1-4,10H,5-6,9H2
InChIKey
DXLZVBZGJRLYQR-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-4-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

245.04703 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe