CID 135704706

497824-35-8

Structural Information

Molecular Formula
C15H11ClN4O2S
SMILES
C1=CC(=CC(=C1)Cl)C2=NNC(=S)N2/N=C/C3=C(C=C(C=C3)O)O
InChI
InChI=1S/C15H11ClN4O2S/c16-11-3-1-2-9(6-11)14-18-19-15(23)20(14)17-8-10-4-5-12(21)7-13(10)22/h1-8,21-22H,(H,19,23)/b17-8+
InChIKey
ITRMZFHWIWIIET-CAOOACKPSA-N
Compound name
3-(3-chlorophenyl)-4-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.0291 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.03638 177.9
[M+Na]+ 369.01832 192.7
[M+NH4]+ 364.06292 184.3
[M+K]+ 384.99226 185.2
[M-H]- 345.02182 181.6
[M+Na-2H]- 367.00377 185.5
[M]+ 346.02855 181.7
[M]- 346.02965 181.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.