CID 6859360

478253-73-5

Structural Information

Molecular Formula
C15H11ClN4OS
SMILES
C1=CC=C(C=C1)/C=C(/C=N/N2C(=NNC2=S)C3=CC=CO3)\Cl
InChI
InChI=1S/C15H11ClN4OS/c16-12(9-11-5-2-1-3-6-11)10-17-20-14(18-19-15(20)22)13-7-4-8-21-13/h1-10H,(H,19,22)/b12-9-,17-10+
InChIKey
DFPYIYOVIRULML-CVRKYSSXSA-N
Compound name
4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

330.0342 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.04148 173.2
[M+Na]+ 353.02342 187.6
[M+NH4]+ 348.06802 180.2
[M+K]+ 368.99736 181.6
[M-H]- 329.02692 178.4
[M+Na-2H]- 351.00887 181.3
[M]+ 330.03365 177.4
[M]- 330.03475 177.4
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.