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 181.9
[M+Na]+ 377.08428 192.9
[M-H]- 353.08778 186.4
[M+NH4]+ 372.12888 192.7
[M+K]+ 393.05822 183.2
[M+H-H2O]+ 337.09232 171.8
[M+HCOO]- 399.09326 197.5
[M+CH3COO]- 413.10891 191.8
[M+Na-2H]- 375.06973 180.6
[M]+ 354.09451 182.2
[M]- 354.09561 182.2
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.