CID 135651108

497922-01-7

Structural Information

Molecular Formula
C17H16N4O3S
SMILES
CCOC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C17H16N4O3S/c1-2-24-13-5-3-4-12(9-13)16-19-20-17(25)21(16)18-10-11-6-7-14(22)15(23)8-11/h3-10,22-23H,2H2,1H3,(H,20,25)/b18-10+
InChIKey
IVFZQKLHQPDEBG-VCHYOVAHSA-N
Compound name
4-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.0943 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.10158 183.3
[M+Na]+ 379.08352 196.4
[M+NH4]+ 374.12812 188.6
[M+K]+ 395.05746 190.0
[M-H]- 355.08702 186.5
[M+Na-2H]- 377.06897 190.0
[M]+ 356.09375 186.3
[M]- 356.09485 186.3
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.