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

literature stripe

Patent stripe

patents stripe