CID 1851468

497921-99-0

Structural Information

Molecular Formula
C17H16N4O2S
SMILES
CCOC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C=C/C3=CC=CO3
InChI
InChI=1S/C17H16N4O2S/c1-2-22-15-7-3-6-13(12-15)16-19-20-17(24)21(16)18-10-4-8-14-9-5-11-23-14/h3-12H,2H2,1H3,(H,20,24)/b8-4+,18-10+
InChIKey
WKEWHCITQNDFLY-HGBXGJOCSA-N
Compound name
3-(3-ethoxyphenyl)-4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.0994 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.106676 179.1
[M+Na]+ 363.088618 190.4
[M-H]- 339.092124 187.5
[M+NH4]+ 358.133223 191.7
[M+K]+ 379.062558 184.6
[M+H-H2O]+ 323.096660 170.5
[M+HCOO]- 385.097601 199.5
[M+CH3COO]- 399.113251 190.9
[M+Na-2H]- 361.074066 179.1
[M]+ 340.09885142 185.3
[M]- 340.09994858 185.3
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.