CID 3704813

3-amino-n,n-diethyl-4-phenoxybenzene-1-sulfonamide

Structural Information

Molecular Formula
C16H20N2O3S
SMILES
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC2=CC=CC=C2)N
InChI
InChI=1S/C16H20N2O3S/c1-3-18(4-2)22(19,20)14-10-11-16(15(17)12-14)21-13-8-6-5-7-9-13/h5-12H,3-4,17H2,1-2H3
InChIKey
ZRQLYUUWIWGBPH-UHFFFAOYSA-N
Compound name
3-amino-N,N-diethyl-4-phenoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

320.11948 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12676 173.3
[M+Na]+ 343.10870 179.8
[M-H]- 319.11220 180.9
[M+NH4]+ 338.15330 187.7
[M+K]+ 359.08264 176.3
[M+H-H2O]+ 303.11674 164.9
[M+HCOO]- 365.11768 193.0
[M+CH3COO]- 379.13333 211.7
[M+Na-2H]- 341.09415 176.3
[M]+ 320.11893 177.1
[M]- 320.12003 177.1
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

No patent data available for this compound.