CID 6447512

4h-imidazole-4-one, 3-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dihydro-5-((2-hydroxyphenyl)methylene)-2-methyl-

Structural Information

Molecular Formula
C15H14N4O2S
SMILES
CCC1=NN=C(S1)N2C(=N/C(=C\C3=CC=CC=C3O)/C2=O)C
InChI
InChI=1S/C15H14N4O2S/c1-3-13-17-18-15(22-13)19-9(2)16-11(14(19)21)8-10-6-4-5-7-12(10)20/h4-8,20H,3H2,1-2H3/b11-8-
InChIKey
IXAYDHWPLUOUBM-FLIBITNWSA-N
Compound name
(5Z)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(2-hydroxyphenyl)methylidene]-2-methylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.08374 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.09102 174.4
[M+Na]+ 337.07296 187.2
[M+NH4]+ 332.11756 180.4
[M+K]+ 353.04690 182.8
[M-H]- 313.07646 176.6
[M+Na-2H]- 335.05841 179.7
[M]+ 314.08319 177.1
[M]- 314.08429 177.1
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.