CID 6859340

478256-52-9

Structural Information

Molecular Formula
C15H14N4OS2
SMILES
CC1=C(SC=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3OC
InChI
InChI=1S/C15H14N4OS2/c1-10-7-8-22-13(10)9-16-19-14(17-18-15(19)21)11-5-3-4-6-12(11)20-2/h3-9H,1-2H3,(H,18,21)/b16-9+
InChIKey
FZQULUQLJLMSIL-CXUHLZMHSA-N
Compound name
3-(2-methoxyphenyl)-4-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.0609 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.06818 174.1
[M+Na]+ 353.05012 187.6
[M+NH4]+ 348.09472 181.6
[M+K]+ 369.02406 179.8
[M-H]- 329.05362 178.8
[M+Na-2H]- 351.03557 181.5
[M]+ 330.06035 178.2
[M]- 330.06145 178.2
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.