CID 3059035

Brn 6000295

Structural Information

Molecular Formula
C18H15NO4S2
SMILES
C1CC(=O)NC(=O)C1C2(C(=O)C3=C(C2=O)SCCS3)C4=CC=CC=C4
InChI
InChI=1S/C18H15NO4S2/c20-12-7-6-11(17(23)19-12)18(10-4-2-1-3-5-10)15(21)13-14(16(18)22)25-9-8-24-13/h1-5,11H,6-9H2,(H,19,20,23)
InChIKey
LEPFFVPECNZVOZ-UHFFFAOYSA-N
Compound name
3-(5,7-dioxo-6-phenyl-2,3-dihydrocyclopenta[b][1,4]dithiin-6-yl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

373.04425 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.05153 180.8
[M+Na]+ 396.03347 191.2
[M+NH4]+ 391.07807 189.9
[M+K]+ 412.00741 181.1
[M-H]- 372.03697 184.6
[M+Na-2H]- 394.01892 186.5
[M]+ 373.04370 184.2
[M]- 373.04480 184.2
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

patents stripe