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 177.2
[M+Na]+ 355.03909 190.1
[M-H]- 331.04259 183.6
[M+NH4]+ 350.08369 191.5
[M+K]+ 371.01303 183.0
[M+H-H2O]+ 315.04713 168.7
[M+HCOO]- 377.04807 188.6
[M+CH3COO]- 391.06372 188.7
[M+Na-2H]- 353.02454 172.7
[M]+ 332.04932 182.5
[M]- 332.05042 182.5
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.