CID 6447510

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

Structural Information

Molecular Formula
C14H11ClN4OS
SMILES
CC1=N/C(=C\C2=CC=C(C=C2)Cl)/C(=O)N1C3=NN=C(S3)C
InChI
InChI=1S/C14H11ClN4OS/c1-8-16-12(7-10-3-5-11(15)6-4-10)13(20)19(8)14-18-17-9(2)21-14/h3-7H,1-2H3/b12-7-
InChIKey
JBHPSHPCVCGMQF-GHXNOFRVSA-N
Compound name
(5Z)-5-[(4-chlorophenyl)methylidene]-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.0342 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.04148 172.7
[M+Na]+ 341.02342 187.5
[M+NH4]+ 336.06802 179.9
[M+K]+ 356.99736 181.5
[M-H]- 317.02692 175.8
[M+Na-2H]- 339.00887 179.2
[M]+ 318.03365 176.3
[M]- 318.03475 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.