CID 135651100

585557-68-2

Structural Information

Molecular Formula
C16H13FN4O2S
SMILES
COC1=C(C=CC(=C1)/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)F)O
InChI
InChI=1S/C16H13FN4O2S/c1-23-14-8-10(2-7-13(14)22)9-18-21-15(19-20-16(21)24)11-3-5-12(17)6-4-11/h2-9,22H,1H3,(H,20,24)/b18-9+
InChIKey
WLPNKKAPVNBANH-GIJQJNRQSA-N
Compound name
3-(4-fluorophenyl)-4-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.0743 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.08158 178.6
[M+Na]+ 367.06352 191.8
[M+NH4]+ 362.10812 184.1
[M+K]+ 383.03746 184.8
[M-H]- 343.06702 181.1
[M+Na-2H]- 365.04897 185.7
[M]+ 344.07375 181.4
[M]- 344.07485 181.4
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.