CID 11510266

Schembl4869574

Structural Information

Molecular Formula
C19H26N2O5S
SMILES
CCOC1=CC=CC=C1OCCNC(C)CC2=CC(=C(C=C2)O)S(=O)(=O)N
InChI
InChI=1S/C19H26N2O5S/c1-3-25-17-6-4-5-7-18(17)26-11-10-21-14(2)12-15-8-9-16(22)19(13-15)27(20,23)24/h4-9,13-14,21-22H,3,10-12H2,1-2H3,(H2,20,23,24)
InChIKey
UIDNSBDGPKUJHU-UHFFFAOYSA-N
Compound name
5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-hydroxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

394.15625 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.16353 191.4
[M+Na]+ 417.14547 195.8
[M-H]- 393.14897 195.6
[M+NH4]+ 412.19007 201.2
[M+K]+ 433.11941 191.5
[M+H-H2O]+ 377.15351 182.6
[M+HCOO]- 439.15445 207.3
[M+CH3COO]- 453.17010 221.7
[M+Na-2H]- 415.13092 192.2
[M]+ 394.15570 195.6
[M]- 394.15680 195.6
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.