CID 135630464

676333-72-5

Structural Information

Molecular Formula
C19H13FN4OS
SMILES
C1=CC=C2C(=C1)C=CC(=C2/C=N/N3C(=NNC3=S)C4=CC=CC=C4F)O
InChI
InChI=1S/C19H13FN4OS/c20-16-8-4-3-7-14(16)18-22-23-19(26)24(18)21-11-15-13-6-2-1-5-12(13)9-10-17(15)25/h1-11,25H,(H,23,26)/b21-11+
InChIKey
OCKATSXEOUDLCA-SRZZPIQSSA-N
Compound name
3-(2-fluorophenyl)-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.0794 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.08668 182.3
[M+Na]+ 387.06862 198.3
[M+NH4]+ 382.11322 189.2
[M+K]+ 403.04256 189.4
[M-H]- 363.07212 186.7
[M+Na-2H]- 385.05407 191.4
[M]+ 364.07885 186.3
[M]- 364.07995 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.