CID 3076677

4,5-imidazolidinedione, 1-phenyl-3-(2-pyridinyl)-2-thioxo-

Structural Information

Molecular Formula
C14H9N3O2S
SMILES
C1=CC=C(C=C1)N2C(=O)C(=O)N(C2=S)C3=CC=CC=N3
InChI
InChI=1S/C14H9N3O2S/c18-12-13(19)17(11-8-4-5-9-15-11)14(20)16(12)10-6-2-1-3-7-10/h1-9H
InChIKey
SFSJBWOYPUUIOW-UHFFFAOYSA-N
Compound name
1-phenyl-3-pyridin-2-yl-2-sulfanylideneimidazolidine-4,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.04153 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.04881 163.3
[M+Na]+ 306.03075 174.3
[M-H]- 282.03425 170.3
[M+NH4]+ 301.07535 177.5
[M+K]+ 322.00469 168.2
[M+H-H2O]+ 266.03879 154.6
[M+HCOO]- 328.03973 179.2
[M+CH3COO]- 342.05538 175.2
[M+Na-2H]- 304.01620 163.0
[M]+ 283.04098 164.0
[M]- 283.04208 164.0
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

No patent data available for this compound.