CID 135651133

578722-44-8

Structural Information

Molecular Formula
C18H15FN4OS
SMILES
C=CCC1=C(C(=CC=C1)/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)F)O
InChI
InChI=1S/C18H15FN4OS/c1-2-4-12-5-3-6-14(16(12)24)11-20-23-17(21-22-18(23)25)13-7-9-15(19)10-8-13/h2-3,5-11,24H,1,4H2,(H,22,25)/b20-11+
InChIKey
HDFFVKRDGYAKET-RGVLZGJSSA-N
Compound name
3-(4-fluorophenyl)-4-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.09506 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.10234 183.4
[M+Na]+ 377.08428 196.7
[M+NH4]+ 372.12888 188.9
[M+K]+ 393.05822 188.7
[M-H]- 353.08778 186.1
[M+Na-2H]- 375.06973 190.3
[M]+ 354.09451 186.3
[M]- 354.09561 186.3
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.