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 168.8
[M+Na]+ 331.00272 180.2
[M-H]- 307.00622 176.9
[M+NH4]+ 326.04732 183.4
[M+K]+ 346.97666 175.4
[M+H-H2O]+ 291.01076 161.4
[M+HCOO]- 353.01170 181.5
[M+CH3COO]- 367.02735 180.8
[M+Na-2H]- 328.98817 167.2
[M]+ 308.01295 172.2
[M]- 308.01405 172.2
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.