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: 4
Patents: 264.00272 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	265.009996	153.8
[M+Na]+	286.991938	164.3
[M-H]-	262.995444	159.0
[M+NH4]+	282.036543	171.7
[M+K]+	302.965878	159.1
[M+H-H2O]+	246.999980	147.9
[M+HCOO]-	309.000921	163.8
[M+CH3COO]-	323.016571	165.8
[M+Na-2H]-	284.977386	154.3
[M]+	264.00217142	154.8
[M]-	264.00326858	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe