CID 5195802

3-amino-4-(4-chlorophenoxy)-n,n-diethylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C16H19ClN2O3S
SMILES
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C16H19ClN2O3S/c1-3-19(4-2)23(20,21)14-9-10-16(15(18)11-14)22-13-7-5-12(17)6-8-13/h5-11H,3-4,18H2,1-2H3
InChIKey
VSXZZSBWKCIUOJ-UHFFFAOYSA-N
Compound name
3-amino-4-(4-chlorophenoxy)-N,N-diethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.0805 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.08778 179.6
[M+Na]+ 377.06972 187.7
[M-H]- 353.07322 187.6
[M+NH4]+ 372.11432 193.9
[M+K]+ 393.04366 182.7
[M+H-H2O]+ 337.07776 172.4
[M+HCOO]- 399.07870 194.8
[M+CH3COO]- 413.09435 216.5
[M+Na-2H]- 375.05517 181.6
[M]+ 354.07995 186.1
[M]- 354.08105 186.1
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.