CID 11471557

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

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

64
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 151.9
[M-H]- 244.03975 149.3
[M+NH4]+ 263.08085 161.8
[M+K]+ 284.01019 144.7
[M+H-H2O]+ 228.04429 143.8
[M+HCOO]- 290.04523 167.1
[M+CH3COO]- 304.06088 185.9
[M+Na-2H]- 266.02170 153.6
[M]+ 245.04648 144.5
[M]- 245.04758 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