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 184.3
[M+Na]+ 387.13492 187.9
[M-H]- 363.13842 190.1
[M+NH4]+ 382.17952 195.8
[M+K]+ 403.10886 184.7
[M+H-H2O]+ 347.14296 175.4
[M+HCOO]- 409.14390 201.6
[M+CH3COO]- 423.15955 217.6
[M+Na-2H]- 385.12037 186.9
[M]+ 364.14515 188.2
[M]- 364.14625 188.2
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.