CID 6889592

587002-83-3

Structural Information

Molecular Formula
C19H13FN4S
SMILES
C1=CC=C2C(=C1)C=CC=C2/C=N/N3C(=NNC3=S)C4=CC=C(C=C4)F
InChI
InChI=1S/C19H13FN4S/c20-16-10-8-14(9-11-16)18-22-23-19(25)24(18)21-12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12H,(H,23,25)/b21-12+
InChIKey
JLKQCHMLOOVUOF-CIAFOILYSA-N
Compound name
3-(4-fluorophenyl)-4-[(E)-naphthalen-1-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.0845 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.091776 179.1
[M+Na]+ 371.073718 191.8
[M-H]- 347.077224 185.9
[M+NH4]+ 366.118323 191.7
[M+K]+ 387.047658 182.0
[M+H-H2O]+ 331.081760 168.6
[M+HCOO]- 393.082701 196.7
[M+CH3COO]- 407.098351 190.1
[M+Na-2H]- 369.059166 182.4
[M]+ 348.08395142 180.8
[M]- 348.08504858 180.8
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.