CID 6888945

677305-82-7

Structural Information

Molecular Formula
C18H15FN4OS
SMILES
COC1=CC=CC=C1/C=C/C=N/N2C(=NNC2=S)C3=CC=CC=C3F
InChI
InChI=1S/C18H15FN4OS/c1-24-16-11-5-2-7-13(16)8-6-12-20-23-17(21-22-18(23)25)14-9-3-4-10-15(14)19/h2-12H,1H3,(H,22,25)/b8-6+,20-12+
InChIKey
QJLOLJHHESSHRI-HOGMWEGNSA-N
Compound name
3-(2-fluorophenyl)-4-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-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

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.10234 181.8
[M+Na]+ 377.08428 192.4
[M-H]- 353.08778 187.3
[M+NH4]+ 372.12888 193.1
[M+K]+ 393.05822 183.7
[M+H-H2O]+ 337.09232 171.1
[M+HCOO]- 399.09326 198.9
[M+CH3COO]- 413.10891 192.0
[M+Na-2H]- 375.06973 181.6
[M]+ 354.09451 183.4
[M]- 354.09561 183.4
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.