CID 6880098

478257-21-5

Structural Information

Molecular Formula
C19H20N4O3S
SMILES
CCOC1=C(C=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3OC)OC
InChI
InChI=1S/C19H20N4O3S/c1-4-26-16-10-9-13(11-17(16)25-3)12-20-23-18(21-22-19(23)27)14-7-5-6-8-15(14)24-2/h5-12H,4H2,1-3H3,(H,22,27)/b20-12+
InChIKey
IUHWNAYNWHYASH-UDWIEESQSA-N
Compound name
4-[(E)-(4-ethoxy-3-methoxyphenyl)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

384.1256 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.13288 191.7
[M+Na]+ 407.11482 205.5
[M+NH4]+ 402.15942 197.3
[M+K]+ 423.08876 198.0
[M-H]- 383.11832 195.8
[M+Na-2H]- 405.10027 199.1
[M]+ 384.12505 195.2
[M]- 384.12615 195.2
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.