CID 210045

Brn 5392434

Structural Information

Molecular Formula
C19H21NO5S
SMILES
CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCCC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C19H21NO5S/c1-13(2)26(22,23)16-6-4-15(5-7-16)19(21)20-10-9-14-3-8-17-18(11-14)25-12-24-17/h3-8,11,13H,9-10,12H2,1-2H3,(H,20,21)
InChIKey
ZEADYDVSCVEYJF-UHFFFAOYSA-N
Compound name
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-propan-2-ylsulfonylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.11404 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.12132 185.5
[M+Na]+ 398.10326 195.5
[M+NH4]+ 393.14786 191.5
[M+K]+ 414.07720 191.3
[M-H]- 374.10676 190.2
[M+Na-2H]- 396.08871 189.1
[M]+ 375.11349 188.6
[M]- 375.11459 188.6
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.