CID 77434192

Ns00117008

Structural Information

Molecular Formula
C18H24N2O5S
SMILES
CC(CC1=CC(=C(C=C1)OC)S(=O)(=O)N)NCCOC2=CC=CC=C2O
InChI
InChI=1S/C18H24N2O5S/c1-13(20-9-10-25-16-6-4-3-5-15(16)21)11-14-7-8-17(24-2)18(12-14)26(19,22)23/h3-8,12-13,20-21H,9-11H2,1-2H3,(H2,19,22,23)
InChIKey
CIJUMNQLYUKWIH-UHFFFAOYSA-N
Compound name
5-[2-[2-(2-hydroxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.1406 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.14788 187.2
[M+Na]+ 403.12982 192.0
[M-H]- 379.13332 191.6
[M+NH4]+ 398.17442 197.6
[M+K]+ 419.10376 187.9
[M+H-H2O]+ 363.13786 178.6
[M+HCOO]- 425.13880 203.4
[M+CH3COO]- 439.15445 218.8
[M+Na-2H]- 401.11527 188.4
[M]+ 380.14005 191.1
[M]- 380.14115 191.1
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.