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 174.5
[M+Na]+ 360.06896 187.8
[M-H]- 336.07246 179.9
[M+NH4]+ 355.11356 187.7
[M+K]+ 376.04290 178.3
[M+H-H2O]+ 320.07700 165.2
[M+HCOO]- 382.07794 191.2
[M+CH3COO]- 396.09359 185.6
[M+Na-2H]- 358.05441 175.4
[M]+ 337.07919 175.8
[M]- 337.08029 175.8
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.