CID 294259

19158-30-6

Structural Information

Molecular Formula
C17H23NO3S
SMILES
C1CCC2(C(C1)S(=O)(=O)C2C3=CC=CC=C3)N4CCOCC4
InChI
InChI=1S/C17H23NO3S/c19-22(20)15-8-4-5-9-17(15,18-10-12-21-13-11-18)16(22)14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2
InChIKey
NMQHAHIFQLFGPR-UHFFFAOYSA-N
Compound name
1-morpholin-4-yl-8-phenyl-7lambda6-thiabicyclo[4.2.0]octane 7,7-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.13986 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.14714 164.3
[M+Na]+ 344.12908 168.1
[M-H]- 320.13258 172.0
[M+NH4]+ 339.17368 174.0
[M+K]+ 360.10302 168.9
[M+H-H2O]+ 304.13712 151.0
[M+HCOO]- 366.13806 172.7
[M+CH3COO]- 380.15371 173.5
[M+Na-2H]- 342.11453 168.1
[M]+ 321.13931 169.6
[M]- 321.14041 169.6
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.