CID 154700017

Ns00117731

Structural Information

Molecular Formula
C20H28N2O6S
SMILES
CCOC1=C(C=C(C=C1)O)OCCNC(C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N
InChI
InChI=1S/C20H28N2O6S/c1-4-27-17-8-6-16(23)13-19(17)28-10-9-22-14(2)11-15-5-7-18(26-3)20(12-15)29(21,24)25/h5-8,12-14,22-23H,4,9-11H2,1-3H3,(H2,21,24,25)
InChIKey
VGTTUYQIYLNEKU-UHFFFAOYSA-N
Compound name
5-[2-[2-(2-ethoxy-5-hydroxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.1668 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.174076 198.5
[M+Na]+ 447.156018 202.8
[M-H]- 423.159524 202.8
[M+NH4]+ 442.200623 207.1
[M+K]+ 463.129958 199.2
[M+H-H2O]+ 407.164060 189.4
[M+HCOO]- 469.165001 214.1
[M+CH3COO]- 483.180651 228.3
[M+Na-2H]- 445.141466 198.5
[M]+ 424.16625142 204.8
[M]- 424.16734858 204.8
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.