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

3
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

literature stripe

Patent stripe

patents stripe