CID 285508

Nsc142494

Structural Information

Molecular Formula
C14H11N3O2S
SMILES
C1CC2=C(C=CS2)C3(C1)C(C(=O)NC(=O)C3C#N)C#N
InChI
InChI=1S/C14H11N3O2S/c15-6-9-12(18)17-13(19)10(7-16)14(9)4-1-2-11-8(14)3-5-20-11/h3,5,9-10H,1-2,4H2,(H,17,18,19)
InChIKey
LPUVVMVYLLTFFI-UHFFFAOYSA-N
Compound name
2',6'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-piperidine]-3',5'-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

285.0572 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.06448 177.8
[M+Na]+ 308.04642 190.0
[M-H]- 284.04992 181.7
[M+NH4]+ 303.09102 191.1
[M+K]+ 324.02036 180.8
[M+H-H2O]+ 268.05446 163.6
[M+HCOO]- 330.05540 182.0
[M+CH3COO]- 344.07105 183.9
[M+Na-2H]- 306.03187 176.4
[M]+ 285.05665 168.0
[M]- 285.05775 168.0
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.