CID 3831399

3-amino-n-(2,5-dichlorophenyl)-4-(diethylamino)benzene-1-sulfonamide

Structural Information

Molecular Formula
C16H19Cl2N3O2S
SMILES
CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)Cl)Cl)N
InChI
InChI=1S/C16H19Cl2N3O2S/c1-3-21(4-2)16-8-6-12(10-14(16)19)24(22,23)20-15-9-11(17)5-7-13(15)18/h5-10,20H,3-4,19H2,1-2H3
InChIKey
PIYFJXVVZQBVGX-UHFFFAOYSA-N
Compound name
3-amino-N-(2,5-dichlorophenyl)-4-(diethylamino)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.0575 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.06478 187.1
[M+Na]+ 410.04672 195.4
[M-H]- 386.05022 194.6
[M+NH4]+ 405.09132 200.5
[M+K]+ 426.02066 188.8
[M+H-H2O]+ 370.05476 180.9
[M+HCOO]- 432.05570 197.9
[M+CH3COO]- 446.07135 224.7
[M+Na-2H]- 408.03217 188.0
[M]+ 387.05695 193.0
[M]- 387.05805 193.0
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.