CID 135613283

2-hydroxybenzaldehyde [3-(4-ethoxyphenyl)-5-sulfanyl-4h-1,2,4-triazol-4-yl]hydrazone

Structural Information

Molecular Formula
C17H17N5O2S
SMILES
CCOC1=CC=C(C=C1)C2=NNC(=S)N2N/N=C/C3=CC=CC=C3O
InChI
InChI=1S/C17H17N5O2S/c1-2-24-14-9-7-12(8-10-14)16-19-20-17(25)22(16)21-18-11-13-5-3-4-6-15(13)23/h3-11,21,23H,2H2,1H3,(H,20,25)/b18-11+
InChIKey
AISZPONEGSTYOY-WOJGMQOQSA-N
Compound name
3-(4-ethoxyphenyl)-4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1103 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.11758 181.8
[M+Na]+ 378.09952 194.3
[M+NH4]+ 373.14412 187.5
[M+K]+ 394.07346 187.4
[M-H]- 354.10302 186.2
[M+Na-2H]- 376.08497 189.7
[M]+ 355.10975 185.0
[M]- 355.11085 185.0
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.