CID 6858340

478253-71-3

Structural Information

Molecular Formula
C17H12N4OS
SMILES
C1=CC=C2C(=C1)C=CC=C2/C=N/N3C(=NNC3=S)C4=CC=CO4
InChI
InChI=1S/C17H12N4OS/c23-17-20-19-16(15-9-4-10-22-15)21(17)18-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-11H,(H,20,23)/b18-11+
InChIKey
XOGORQHFLNTOLI-WOJGMQOQSA-N
Compound name
3-(furan-2-yl)-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

320.07318 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.08046 171.7
[M+Na]+ 343.06240 184.6
[M-H]- 319.06590 181.4
[M+NH4]+ 338.10700 186.2
[M+K]+ 359.03634 178.4
[M+H-H2O]+ 303.07044 163.8
[M+HCOO]- 365.07138 191.7
[M+CH3COO]- 379.08703 184.5
[M+Na-2H]- 341.04785 174.6
[M]+ 320.07263 176.5
[M]- 320.07373 176.5
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.