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]+ 425.17408 198.5
[M+Na]+ 447.15602 202.8
[M-H]- 423.15952 202.8
[M+NH4]+ 442.20062 207.1
[M+K]+ 463.12996 199.2
[M+H-H2O]+ 407.16406 189.4
[M+HCOO]- 469.16500 214.1
[M+CH3COO]- 483.18065 228.3
[M+Na-2H]- 445.14147 198.5
[M]+ 424.16625 204.8
[M]- 424.16735 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.