CID 6859574

680998-73-6

Structural Information

Molecular Formula
C18H17FN4O2S
SMILES
CCOC1=C(C=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3F)OC
InChI
InChI=1S/C18H17FN4O2S/c1-3-25-15-9-8-12(10-16(15)24-2)11-20-23-17(21-22-18(23)26)13-6-4-5-7-14(13)19/h4-11H,3H2,1-2H3,(H,22,26)/b20-11+
InChIKey
LTIZFSZOUXLACB-RGVLZGJSSA-N
Compound name
4-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.10562 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.11290 187.3
[M+Na]+ 395.09484 200.6
[M+NH4]+ 390.13944 192.8
[M+K]+ 411.06878 192.9
[M-H]- 371.09834 190.3
[M+Na-2H]- 393.08029 194.5
[M]+ 372.10507 190.3
[M]- 372.10617 190.3
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.