CID 2822835

Chembl314962

Structural Information

Molecular Formula
C16H21NO5S
SMILES
CCCN(CC1=CC=CO1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C16H21NO5S/c1-4-9-17(12-13-6-5-10-22-13)23(18,19)14-7-8-15(20-2)16(11-14)21-3/h5-8,10-11H,4,9,12H2,1-3H3
InChIKey
LMYBKLQQMBEVLM-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)-3,4-dimethoxy-N-propylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

339.11404 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.121316 178.3
[M+Na]+ 362.103258 185.6
[M-H]- 338.106764 187.5
[M+NH4]+ 357.147863 193.3
[M+K]+ 378.077198 185.1
[M+H-H2O]+ 322.111300 171.2
[M+HCOO]- 384.112241 198.3
[M+CH3COO]- 398.127891 211.4
[M+Na-2H]- 360.088706 180.6
[M]+ 339.11349142 188.2
[M]- 339.11458858 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

literature stripe

Patent stripe

No patent data available for this compound.