CID 6859074

4-((3-methoxybenzylidene)amino)-5-(3-methoxyphenyl)-4h-1,2,4-triazole-3-thiol

Structural Information

Molecular Formula
C17H16N4O2S
SMILES
COC1=CC=CC(=C1)/C=N/N2C(=NNC2=S)C3=CC(=CC=C3)OC
InChI
InChI=1S/C17H16N4O2S/c1-22-14-7-3-5-12(9-14)11-18-21-16(19-20-17(21)24)13-6-4-8-15(10-13)23-2/h3-11H,1-2H3,(H,20,24)/b18-11+
InChIKey
ROHIVWGBMGCJMW-WOJGMQOQSA-N
Compound name
3-(3-methoxyphenyl)-4-[(E)-(3-methoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.0994 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.10668 179.0
[M+Na]+ 363.08862 193.4
[M+NH4]+ 358.13322 185.6
[M+K]+ 379.06256 185.5
[M-H]- 339.09212 183.6
[M+Na-2H]- 361.07407 187.6
[M]+ 340.09885 182.7
[M]- 340.09995 182.7
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.