CID 3072664

143658-81-5

Structural Information

Molecular Formula
C15H12ClN3O2S
SMILES
C1=CC=C(C(=C1)C2=NN(C(=S)O2)CNC3=CC(=CC=C3)Cl)O
InChI
InChI=1S/C15H12ClN3O2S/c16-10-4-3-5-11(8-10)17-9-19-15(22)21-14(18-19)12-6-1-2-7-13(12)20/h1-8,17,20H,9H2
InChIKey
NVPJDYROQRMSQZ-UHFFFAOYSA-N
Compound name
3-[(3-chloroanilino)methyl]-5-(2-hydroxyphenyl)-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.03387 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.04115 174.2
[M+Na]+ 356.02309 189.9
[M+NH4]+ 351.06769 182.1
[M+K]+ 371.99703 181.9
[M-H]- 332.02659 180.8
[M+Na-2H]- 354.00854 182.7
[M]+ 333.03332 179.2
[M]- 333.03442 179.2
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.