CID 459019

N-[2-(4-nitroanilino)ethyl]benzenesulfonamide

Structural Information

Molecular Formula
C14H15N3O4S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H15N3O4S/c18-17(19)13-8-6-12(7-9-13)15-10-11-16-22(20,21)14-4-2-1-3-5-14/h1-9,15-16H,10-11H2
InChIKey
ATIVCGWHOKFOCL-UHFFFAOYSA-N
Compound name
N-[2-(4-nitroanilino)ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

3
Patents

321.07834 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.08562 166.9
[M+Na]+ 344.06756 171.2
[M-H]- 320.07106 173.1
[M+NH4]+ 339.11216 179.2
[M+K]+ 360.04150 162.5
[M+H-H2O]+ 304.07560 162.8
[M+HCOO]- 366.07654 188.0
[M+CH3COO]- 380.09219 200.7
[M+Na-2H]- 342.05301 175.5
[M]+ 321.07779 165.9
[M]- 321.07889 165.9
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

No patent data available for this compound.