CID 6435352

3-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dihydro-2-methyl-5-(phenylmethylene)-4h-imidazol-4-one

Structural Information

Molecular Formula
C15H14N4OS
SMILES
CCC1=NN=C(S1)N2C(=N/C(=C\C3=CC=CC=C3)/C2=O)C
InChI
InChI=1S/C15H14N4OS/c1-3-13-17-18-15(21-13)19-10(2)16-12(14(19)20)9-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3/b12-9-
InChIKey
SEVQYTKJYRTDPL-XFXZXTDPSA-N
Compound name
(5Z)-5-benzylidene-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.08884 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09612 170.0
[M+Na]+ 321.07806 183.6
[M+NH4]+ 316.12266 177.0
[M+K]+ 337.05200 178.1
[M-H]- 297.08156 173.1
[M+Na-2H]- 319.06351 176.6
[M]+ 298.08829 173.2
[M]- 298.08939 173.2
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.