CID 872368

Gnf-pf-3099

Structural Information

Molecular Formula
C16H12N2O2S
SMILES
C1=CC=C(C=C1)OC2=CC=CC(=C2)/C=C/3\C(=O)NC(=S)N3
InChI
InChI=1S/C16H12N2O2S/c19-15-14(17-16(21)18-15)10-11-5-4-8-13(9-11)20-12-6-2-1-3-7-12/h1-10H,(H2,17,18,19,21)/b14-10+
InChIKey
HLVPIZURNZTVCM-GXDHUFHOSA-N
Compound name
(5E)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

296.06195 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.06923 167.8
[M+Na]+ 319.05117 176.1
[M-H]- 295.05467 172.7
[M+NH4]+ 314.09577 181.2
[M+K]+ 335.02511 168.2
[M+H-H2O]+ 279.05921 159.9
[M+HCOO]- 341.06015 181.5
[M+CH3COO]- 355.07580 178.0
[M+Na-2H]- 317.03662 166.7
[M]+ 296.06140 164.7
[M]- 296.06250 164.7
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.