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

30
Patents

245.04703 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.054306 146.1
[M+Na]+ 268.036248 151.9
[M-H]- 244.039754 149.3
[M+NH4]+ 263.080853 161.8
[M+K]+ 284.010188 144.7
[M+H-H2O]+ 228.044290 143.8
[M+HCOO]- 290.045231 167.1
[M+CH3COO]- 304.060881 185.9
[M+Na-2H]- 266.021696 153.6
[M]+ 245.04648142 144.5
[M]- 245.04757858 144.5
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