CID 788027

4-amino-n-(4-ethoxyphenyl)benzenesulfonamide

Structural Information

Molecular Formula
C14H16N2O3S
SMILES
CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C14H16N2O3S/c1-2-19-13-7-5-12(6-8-13)16-20(17,18)14-9-3-11(15)4-10-14/h3-10,16H,2,15H2,1H3
InChIKey
SBPXTHAKRLEODG-UHFFFAOYSA-N
Compound name
4-amino-N-(4-ethoxyphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

292.08817 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.095446 164.1
[M+Na]+ 315.077388 171.5
[M-H]- 291.080894 170.6
[M+NH4]+ 310.121993 179.1
[M+K]+ 331.051328 166.9
[M+H-H2O]+ 275.085430 156.3
[M+HCOO]- 337.086371 184.0
[M+CH3COO]- 351.102021 202.5
[M+Na-2H]- 313.062836 168.8
[M]+ 292.08762142 166.0
[M]- 292.08871858 166.0
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