CID 9639141

624725-14-0

Structural Information

Molecular Formula
C16H17N5OS2
SMILES
CCOC1=CC=C(C=C1)C2=NNC(=S)N2N/N=C/C3=CC=C(S3)C
InChI
InChI=1S/C16H17N5OS2/c1-3-22-13-7-5-12(6-8-13)15-18-19-16(23)21(15)20-17-10-14-9-4-11(2)24-14/h4-10,20H,3H2,1-2H3,(H,19,23)/b17-10+
InChIKey
PGTNLFRIKWCGAO-LICLKQGHSA-N
Compound name
3-(4-ethoxyphenyl)-4-[(2E)-2-[(5-methylthiophen-2-yl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.08746 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.09474 180.7
[M+Na]+ 382.07668 192.7
[M+NH4]+ 377.12128 187.5
[M+K]+ 398.05062 185.3
[M-H]- 358.08018 185.6
[M+Na-2H]- 380.06213 187.9
[M]+ 359.08691 184.5
[M]- 359.08801 184.5
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.