CID 135651580

478253-64-4

Structural Information

Molecular Formula
C18H18N4O4S
SMILES
COC1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC(=C(C(=C3)OC)O)OC
InChI
InChI=1S/C18H18N4O4S/c1-24-13-6-4-12(5-7-13)17-20-21-18(27)22(17)19-10-11-8-14(25-2)16(23)15(9-11)26-3/h4-10,23H,1-3H3,(H,21,27)/b19-10+
InChIKey
VXGDFJMOLOJFPU-VXLYETTFSA-N
Compound name
4-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1049 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.11218 191.7
[M+Na]+ 409.09412 204.9
[M+NH4]+ 404.13872 196.5
[M+K]+ 425.06806 198.7
[M-H]- 385.09762 194.9
[M+Na-2H]- 407.07957 198.0
[M]+ 386.10435 194.7
[M]- 386.10545 194.7
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.