CID 67001

Benzenesulfonamide, 2-amino-n-ethyl-5-nitro-n-phenyl-

Structural Information

Molecular Formula
C14H15N3O4S
SMILES
CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N
InChI
InChI=1S/C14H15N3O4S/c1-2-16(11-6-4-3-5-7-11)22(20,21)14-10-12(17(18)19)8-9-13(14)15/h3-10H,2,15H2,1H3
InChIKey
AGSWRZMLPKYDNM-UHFFFAOYSA-N
Compound name
2-amino-N-ethyl-5-nitro-N-phenylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

7
Patents

321.07834 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.08562 168.1
[M+Na]+ 344.06756 173.3
[M-H]- 320.07106 175.6
[M+NH4]+ 339.11216 181.1
[M+K]+ 360.04150 165.9
[M+H-H2O]+ 304.07560 164.1
[M+HCOO]- 366.07654 189.0
[M+CH3COO]- 380.09219 204.4
[M+Na-2H]- 342.05301 174.3
[M]+ 321.07779 167.7
[M]- 321.07889 167.7
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.