CID 6859380

478254-78-3

Structural Information

Molecular Formula
C15H11ClN4OS
SMILES
C1=CC(=CC(=C1)O)/C=N/N2C(=NNC2=S)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C15H11ClN4OS/c16-12-5-2-4-11(8-12)14-18-19-15(22)20(14)17-9-10-3-1-6-13(21)7-10/h1-9,21H,(H,19,22)/b17-9+
InChIKey
KQYPJLNYIQYBCP-RQZCQDPDSA-N
Compound name
3-(3-chlorophenyl)-4-[(E)-(3-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.0342 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.04148 173.8
[M+Na]+ 353.02342 189.4
[M+NH4]+ 348.06802 181.2
[M+K]+ 368.99736 180.8
[M-H]- 329.02692 178.5
[M+Na-2H]- 351.00887 182.7
[M]+ 330.03365 178.0
[M]- 330.03475 178.0
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.