CID 135521473

676243-77-9

Structural Information

Molecular Formula
C17H12FN5S
SMILES
C1=CC=C2C(=C1)C(=CN2)/C=N/N3C(=NNC3=S)C4=CC=C(C=C4)F
InChI
InChI=1S/C17H12FN5S/c18-13-7-5-11(6-8-13)16-21-22-17(24)23(16)20-10-12-9-19-15-4-2-1-3-14(12)15/h1-10,19H,(H,22,24)/b20-10+
InChIKey
CCUTWJPGHVSDIP-KEBDBYFISA-N
Compound name
3-(4-fluorophenyl)-4-[(E)-1H-indol-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

337.07974 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.08702 173.8
[M+Na]+ 360.06896 188.2
[M+NH4]+ 355.11356 180.5
[M+K]+ 376.04290 181.9
[M-H]- 336.07246 177.0
[M+Na-2H]- 358.05441 181.9
[M]+ 337.07919 177.0
[M]- 337.08029 177.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.