CID 51060027

4-chloro-3-(((2,3-dihydro-1,4-benzodioxin-2-ylmethyl)amino)sulfonyl)-n-(1-phenylethyl)benzamide

Structural Information

Molecular Formula
C24H23ClN2O5S
SMILES
CC(C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3COC4=CC=CC=C4O3
InChI
InChI=1S/C24H23ClN2O5S/c1-16(17-7-3-2-4-8-17)27-24(28)18-11-12-20(25)23(13-18)33(29,30)26-14-19-15-31-21-9-5-6-10-22(21)32-19/h2-13,16,19,26H,14-15H2,1H3,(H,27,28)
InChIKey
BANJRRMLIGHKQM-UHFFFAOYSA-N
Compound name
4-chloro-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.10162 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.10890 211.2
[M+Na]+ 509.09084 224.1
[M+NH4]+ 504.13544 217.5
[M+K]+ 525.06478 215.8
[M-H]- 485.09434 219.7
[M+Na-2H]- 507.07629 218.4
[M]+ 486.10107 216.2
[M]- 486.10217 216.2
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.