CID 3069027

84249-82-1

Structural Information

Molecular Formula
C14H10Cl2N4OS
SMILES
C1=CN=CC=C1C2=NN(C(=S)O2)CNC3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C14H10Cl2N4OS/c15-10-5-11(16)7-12(6-10)18-8-20-14(22)21-13(19-20)9-1-3-17-4-2-9/h1-7,18H,8H2
InChIKey
VWMCOWJLNJFMNS-UHFFFAOYSA-N
Compound name
3-[(3,5-dichloroanilino)methyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.99524 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.00252 177.9
[M+Na]+ 374.98446 195.0
[M+NH4]+ 370.02906 186.0
[M+K]+ 390.95840 185.8
[M-H]- 350.98796 184.3
[M+Na-2H]- 372.96991 186.8
[M]+ 351.99469 183.3
[M]- 351.99579 183.3
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.