CID 9558466

585562-81-8

Structural Information

Molecular Formula
C17H15FN4O2S
SMILES
COC1=C(C=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3F)OC
InChI
InChI=1S/C17H15FN4O2S/c1-23-14-8-7-11(9-15(14)24-2)10-19-22-16(20-21-17(22)25)12-5-3-4-6-13(12)18/h3-10H,1-2H3,(H,21,25)/b19-10+
InChIKey
ORCGVIBERTZPBK-VXLYETTFSA-N
Compound name
4-[(E)-(3,4-dimethoxyphenyl)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

358.08997 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.09725 183.0
[M+Na]+ 381.07919 196.5
[M+NH4]+ 376.12379 188.7
[M+K]+ 397.05313 189.0
[M-H]- 357.08269 186.0
[M+Na-2H]- 379.06464 190.4
[M]+ 358.08942 186.0
[M]- 358.09052 186.0
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.