CID 717431

(5e)-5-[(pyridin-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

Structural Information

Molecular Formula
C9H7N3OS
SMILES
C1=CC=NC(=C1)/C=C/2\C(=O)NC(=S)N2
InChI
InChI=1S/C9H7N3OS/c13-8-7(11-9(14)12-8)5-6-3-1-2-4-10-6/h1-5H,(H2,11,12,13,14)/b7-5+
InChIKey
DRMFCOHNVXPTHL-FNORWQNLSA-N
Compound name
(5E)-5-(pyridin-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.03099 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.03827 144.3
[M+Na]+ 228.02021 153.7
[M-H]- 204.02371 144.9
[M+NH4]+ 223.06481 160.4
[M+K]+ 243.99415 147.3
[M+H-H2O]+ 188.02825 137.3
[M+HCOO]- 250.02919 157.2
[M+CH3COO]- 264.04484 155.6
[M+Na-2H]- 226.00566 144.5
[M]+ 205.03044 139.9
[M]- 205.03154 139.9
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.