CID 9553315

4-{[(e)-(2,5-dimethoxyphenyl)methylidene]amino}-5-(2-methoxyphenyl)-4h-1,2,4-triazole-3-thiol

Structural Information

Molecular Formula
C18H18N4O3S
SMILES
COC1=CC(=C(C=C1)OC)/C=N/N2C(=NNC2=S)C3=CC=CC=C3OC
InChI
InChI=1S/C18H18N4O3S/c1-23-13-8-9-15(24-2)12(10-13)11-19-22-17(20-21-18(22)26)14-6-4-5-7-16(14)25-3/h4-11H,1-3H3,(H,21,26)/b19-11+
InChIKey
YFUFPZWTMOROPX-YBFXNURJSA-N
Compound name
4-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.10995 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11723 187.4
[M+Na]+ 393.09917 201.4
[M+NH4]+ 388.14377 193.2
[M+K]+ 409.07311 194.1
[M-H]- 369.10267 191.6
[M+Na-2H]- 391.08462 195.1
[M]+ 370.10940 190.9
[M]- 370.11050 190.9
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.