CID 6878564

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

Structural Information

Molecular Formula
C19H20N4O4S
SMILES
COC1=C(C(=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3OC)OC)OC
InChI
InChI=1S/C19H20N4O4S/c1-24-14-8-6-5-7-13(14)18-21-22-19(28)23(18)20-11-12-9-10-15(25-2)17(27-4)16(12)26-3/h5-11H,1-4H3,(H,22,28)/b20-11+
InChIKey
CDHRYYDLDMXYKI-RGVLZGJSSA-N
Compound name
3-(2-methoxyphenyl)-4-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.1205 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.12778 195.8
[M+Na]+ 423.10972 209.4
[M+NH4]+ 418.15432 200.8
[M+K]+ 439.08366 202.6
[M-H]- 399.11322 199.5
[M+Na-2H]- 421.09517 202.5
[M]+ 400.11995 199.1
[M]- 400.12105 199.1
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.