CID 9557676

497921-90-1

Structural Information

Molecular Formula
C15H14N4O2S
SMILES
CCOC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC=CO3
InChI
InChI=1S/C15H14N4O2S/c1-2-20-12-6-3-5-11(9-12)14-17-18-15(22)19(14)16-10-13-7-4-8-21-13/h3-10H,2H2,1H3,(H,18,22)/b16-10+
InChIKey
XBCFWJBUSWIIAC-MHWRWJLKSA-N
Compound name
3-(3-ethoxyphenyl)-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.08374 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.09102 170.7
[M+Na]+ 337.07296 184.5
[M+NH4]+ 332.11756 177.3
[M+K]+ 353.04690 179.5
[M-H]- 313.07646 175.9
[M+Na-2H]- 335.05841 178.5
[M]+ 314.08319 174.5
[M]- 314.08429 174.5
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.