CID 3827199

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

Structural Information

Molecular Formula
C18H24N2O4S
SMILES
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)OCC)N
InChI
InChI=1S/C18H24N2O4S/c1-4-20(5-2)25(21,22)16-11-12-18(17(19)13-16)24-15-9-7-14(8-10-15)23-6-3/h7-13H,4-6,19H2,1-3H3
InChIKey
WNFGETLQYJCOFG-UHFFFAOYSA-N
Compound name
3-amino-4-(4-ethoxyphenoxy)-N,N-diethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1457 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.15298 185.2
[M+Na]+ 387.13492 191.3
[M-H]- 363.13842 192.6
[M+NH4]+ 382.17952 197.9
[M+K]+ 403.10886 188.1
[M+H-H2O]+ 347.14296 176.3
[M+HCOO]- 409.14390 204.3
[M+CH3COO]- 423.15955 221.1
[M+Na-2H]- 385.12037 186.8
[M]+ 364.14515 191.4
[M]- 364.14625 191.4
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.