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 173.0
[M+Na]+ 337.07296 184.8
[M-H]- 313.07646 178.4
[M+NH4]+ 332.11756 186.5
[M+K]+ 353.04690 178.6
[M+H-H2O]+ 297.08100 165.0
[M+HCOO]- 359.08194 188.0
[M+CH3COO]- 373.09759 184.3
[M+Na-2H]- 335.05841 169.1
[M]+ 314.08319 176.3
[M]- 314.08429 176.3
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.