CID 6859357

478256-79-0

Structural Information

Molecular Formula
C15H14N4O2S
SMILES
CC1=CC=C(O1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3OC
InChI
InChI=1S/C15H14N4O2S/c1-10-7-8-11(21-10)9-16-19-14(17-18-15(19)22)12-5-3-4-6-13(12)20-2/h3-9H,1-2H3,(H,18,22)/b16-9+
InChIKey
UHNWQBMHSJIZFO-CXUHLZMHSA-N
Compound name
3-(2-methoxyphenyl)-4-[(E)-(5-methylfuran-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.08374 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.09102 171.5
[M+Na]+ 337.07296 185.7
[M+NH4]+ 332.11756 178.1
[M+K]+ 353.04690 180.8
[M-H]- 313.07646 176.8
[M+Na-2H]- 335.05841 179.0
[M]+ 314.08319 175.4
[M]- 314.08429 175.4
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.