CID 6447511

2-methyl-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-chlorobenzylidene)-3,5-dihydroimidazol-4-one

Structural Information

Molecular Formula
C15H13ClN4OS
SMILES
CCC1=NN=C(S1)N2C(=N/C(=C\C3=CC=C(C=C3)Cl)/C2=O)C
InChI
InChI=1S/C15H13ClN4OS/c1-3-13-18-19-15(22-13)20-9(2)17-12(14(20)21)8-10-4-6-11(16)7-5-10/h4-8H,3H2,1-2H3/b12-8-
InChIKey
IOGDHGYEIRWNGR-WQLSENKSSA-N
Compound name
(5Z)-5-[(4-chlorophenyl)methylidene]-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

332.04987 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.05715 177.0
[M+Na]+ 355.03909 191.6
[M+NH4]+ 350.08369 184.1
[M+K]+ 371.01303 185.3
[M-H]- 331.04259 180.1
[M+Na-2H]- 353.02454 183.3
[M]+ 332.04932 180.6
[M]- 332.05042 180.6
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.