CID 6859376

478257-79-3

Structural Information

Molecular Formula
C15H14N4OS2
SMILES
CC1=C(SC=C1)/C=N/N2C(=NNC2=S)C3=CC(=CC=C3)OC
InChI
InChI=1S/C15H14N4OS2/c1-10-6-7-22-13(10)9-16-19-14(17-18-15(19)21)11-4-3-5-12(8-11)20-2/h3-9H,1-2H3,(H,18,21)/b16-9+
InChIKey
WYGPPQMRUJTYCL-CXUHLZMHSA-N
Compound name
3-(3-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 173.4
[M+Na]+ 353.05012 186.9
[M-H]- 329.05362 181.7
[M+NH4]+ 348.09472 188.7
[M+K]+ 369.02406 179.4
[M+H-H2O]+ 313.05816 166.3
[M+HCOO]- 375.05910 189.7
[M+CH3COO]- 389.07475 185.8
[M+Na-2H]- 351.03557 171.5
[M]+ 330.06035 179.4
[M]- 330.06145 179.4
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.