CID 2815249

Ccg-47835

Structural Information

Molecular Formula
C17H17NO3S
SMILES
C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC4=C(C=C3)OCC4
InChI
InChI=1S/C17H17NO3S/c19-22(20,15-7-8-17-14(12-15)9-11-21-17)18-10-3-5-13-4-1-2-6-16(13)18/h1-2,4,6-8,12H,3,5,9-11H2
InChIKey
NJBGXNQIAXXITR-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3,4-dihydro-2H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

315.09293 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.100206 169.5
[M+Na]+ 338.082148 177.7
[M-H]- 314.085654 177.0
[M+NH4]+ 333.126753 185.5
[M+K]+ 354.056088 174.1
[M+H-H2O]+ 298.090190 162.9
[M+HCOO]- 360.091131 181.6
[M+CH3COO]- 374.106781 180.7
[M+Na-2H]- 336.067596 174.1
[M]+ 315.09238142 170.6
[M]- 315.09347858 170.6
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.