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 189.5
[M+Na]+ 409.09412 199.9
[M-H]- 385.09762 195.8
[M+NH4]+ 404.13872 199.0
[M+K]+ 425.06806 193.5
[M+H-H2O]+ 369.10216 180.1
[M+HCOO]- 431.10310 206.4
[M+CH3COO]- 445.11875 217.6
[M+Na-2H]- 407.07957 188.7
[M]+ 386.10435 195.9
[M]- 386.10545 195.9
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.