CID 40900

Ra(sub 14)

Structural Information

Molecular Formula
C11H8N2O2S2
SMILES
C1CSC2=C(S1)C(=O)N(C2=O)C3=CC=CC=N3
InChI
InChI=1S/C11H8N2O2S2/c14-10-8-9(17-6-5-16-8)11(15)13(10)7-3-1-2-4-12-7/h1-4H,5-6H2
InChIKey
CEULEJFLPBCFAU-UHFFFAOYSA-N
Compound name
6-pyridin-2-yl-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

264.00272 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.01000 153.7
[M+Na]+ 286.99194 166.1
[M+NH4]+ 282.03654 162.9
[M+K]+ 302.96588 157.4
[M-H]- 262.99544 156.9
[M+Na-2H]- 284.97739 158.8
[M]+ 264.00217 157.3
[M]- 264.00327 157.3
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