CID 6880352

613249-80-2

Structural Information

Molecular Formula
C16H16N4OS2
SMILES
CCOC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC=C(S3)C
InChI
InChI=1S/C16H16N4OS2/c1-3-21-13-6-4-5-12(9-13)15-18-19-16(22)20(15)17-10-14-8-7-11(2)23-14/h4-10H,3H2,1-2H3,(H,19,22)/b17-10+
InChIKey
ZNQXFEYBYGYMTP-LICLKQGHSA-N
Compound name
3-(3-ethoxyphenyl)-4-[(E)-(5-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

344.07657 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.08385 178.2
[M+Na]+ 367.06579 191.5
[M+NH4]+ 362.11039 185.5
[M+K]+ 383.03973 183.5
[M-H]- 343.06929 182.8
[M+Na-2H]- 365.05124 185.4
[M]+ 344.07602 182.3
[M]- 344.07712 182.3
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.