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 173.0
[M+Na]+ 341.02342 186.3
[M-H]- 317.02692 179.5
[M+NH4]+ 336.06802 187.8
[M+K]+ 356.99736 179.4
[M+H-H2O]+ 301.03146 164.7
[M+HCOO]- 363.03240 184.7
[M+CH3COO]- 377.04805 184.9
[M+Na-2H]- 339.00887 168.9
[M]+ 318.03365 177.9
[M]- 318.03475 177.9
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.