CID 3076620

131962-94-2

Structural Information

Molecular Formula
C18H24N2O4S
SMILES
CN(C)CCOCC(C1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C18H24N2O4S/c1-20(2)11-12-24-14-18(21)15-7-6-8-16(13-15)19-25(22,23)17-9-4-3-5-10-17/h3-10,13,18-19,21H,11-12,14H2,1-2H3
InChIKey
UJQKYNPVSSMQKW-UHFFFAOYSA-N
Compound name
N-[3-[2-[2-(dimethylamino)ethoxy]-1-hydroxyethyl]phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1457 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.15298 183.8
[M+Na]+ 387.13492 193.0
[M+NH4]+ 382.17952 189.5
[M+K]+ 403.10886 186.3
[M-H]- 363.13842 186.7
[M+Na-2H]- 385.12037 190.4
[M]+ 364.14515 186.1
[M]- 364.14625 186.1
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.