CID 135450280

5-methyl-2-((5-(p-bromophenyl)-1,3,4-oxadiazol-2-yl)imino)-4-thiazolidinone

Structural Information

Molecular Formula
C12H9BrN4O2S
SMILES
CC1C(=O)N/C(=N/C2=NN=C(O2)C3=CC=C(C=C3)Br)/S1
InChI
InChI=1S/C12H9BrN4O2S/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
ZSVHTCYNDXLUSS-UHFFFAOYSA-N
Compound name
(2Z)-2-[[5-(4-bromophenyl)-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

351.96295 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.97023 162.5
[M+Na]+ 374.95217 176.4
[M-H]- 350.95567 173.2
[M+NH4]+ 369.99677 178.7
[M+K]+ 390.92611 165.2
[M+H-H2O]+ 334.96021 161.8
[M+HCOO]- 396.96115 178.4
[M+CH3COO]- 410.97680 176.8
[M+Na-2H]- 372.93762 163.9
[M]+ 351.96240 182.8
[M]- 351.96350 182.8
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.