CID 135450279

199339-17-8

Structural Information

Molecular Formula
C12H9ClN4O2S
SMILES
CC1C(=O)N/C(=N/C2=NN=C(O2)C3=CC=C(C=C3)Cl)/S1
InChI
InChI=1S/C12H9ClN4O2S/c1-6-9(18)14-12(20-6)15-11-17-16-10(19-11)7-2-4-8(13)5-3-7/h2-6H,1H3,(H,14,15,17,18)
InChIKey
MTICFXIGLZVLNK-UHFFFAOYSA-N
Compound name
(2Z)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-methyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.0135 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.02078 167.0
[M+Na]+ 331.00272 179.8
[M+NH4]+ 326.04732 174.2
[M+K]+ 346.97666 175.3
[M-H]- 307.00622 171.8
[M+Na-2H]- 328.98817 172.8
[M]+ 308.01295 170.7
[M]- 308.01405 170.7
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.