CID 135651110

577983-00-7

Structural Information

Molecular Formula
C19H13FN4OS
SMILES
C1=CC=C2C(=C1)C=CC(=C2/C=N/N3C(=NNC3=S)C4=CC=C(C=C4)F)O
InChI
InChI=1S/C19H13FN4OS/c20-14-8-5-13(6-9-14)18-22-23-19(26)24(18)21-11-16-15-4-2-1-3-12(15)7-10-17(16)25/h1-11,25H,(H,23,26)/b21-11+
InChIKey
WFDYNILXKVZQRT-SRZZPIQSSA-N
Compound name
3-(4-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 182.7
[M+Na]+ 387.06862 195.5
[M-H]- 363.07212 188.7
[M+NH4]+ 382.11322 194.1
[M+K]+ 403.04256 185.6
[M+H-H2O]+ 347.07666 172.7
[M+HCOO]- 409.07760 199.0
[M+CH3COO]- 423.09325 193.3
[M+Na-2H]- 385.05407 185.2
[M]+ 364.07885 184.5
[M]- 364.07995 184.5
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.