CID 1422324

(5z)-5-(3-nitrobenzylidene)-2-thioxoimidazolidin-4-one

Structural Information

Molecular Formula
C10H7N3O3S
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])/C=C\2/C(=O)NC(=S)N2
InChI
InChI=1S/C10H7N3O3S/c14-9-8(11-10(17)12-9)5-6-2-1-3-7(4-6)13(15)16/h1-5H,(H2,11,12,14,17)/b8-5-
InChIKey
YLAMPWFIFGRNCQ-YVMONPNESA-N
Compound name
(5Z)-5-[(3-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

249.02081 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.02809 152.5
[M+Na]+ 272.01003 159.8
[M-H]- 248.01353 154.5
[M+NH4]+ 267.05463 167.0
[M+K]+ 287.98397 149.5
[M+H-H2O]+ 232.01807 150.2
[M+HCOO]- 294.01901 167.2
[M+CH3COO]- 308.03466 177.7
[M+Na-2H]- 269.99548 154.2
[M]+ 249.02026 146.2
[M]- 249.02136 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.