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 153.8
[M+Na]+ 286.99194 164.3
[M-H]- 262.99544 159.0
[M+NH4]+ 282.03654 171.7
[M+K]+ 302.96588 159.1
[M+H-H2O]+ 246.99998 147.9
[M+HCOO]- 309.00092 163.8
[M+CH3COO]- 323.01657 165.8
[M+Na-2H]- 284.97739 154.3
[M]+ 264.00217 154.8
[M]- 264.00327 154.8
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