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 173.5
[M+Na]+ 356.02309 184.9
[M-H]- 332.02659 181.4
[M+NH4]+ 351.06769 186.0
[M+K]+ 371.99703 178.2
[M+H-H2O]+ 316.03113 165.8
[M+HCOO]- 378.03207 186.9
[M+CH3COO]- 392.04772 185.1
[M+Na-2H]- 354.00854 175.2
[M]+ 333.03332 178.4
[M]- 333.03442 178.4
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.