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 183.3
[M+Na]+ 396.03347 190.6
[M-H]- 372.03697 189.9
[M+NH4]+ 391.07807 198.5
[M+K]+ 412.00741 184.0
[M+H-H2O]+ 356.04151 177.5
[M+HCOO]- 418.04245 188.5
[M+CH3COO]- 432.05810 192.1
[M+Na-2H]- 394.01892 181.6
[M]+ 373.04370 180.6
[M]- 373.04480 180.6
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

patents stripe