CID 135651105

497920-24-8

Structural Information

Molecular Formula
C16H14N4O3S
SMILES
COC1=CC=CC=C1C2=NNC(=S)N2/N=C/C3=C(C=C(C=C3)O)O
InChI
InChI=1S/C16H14N4O3S/c1-23-14-5-3-2-4-12(14)15-18-19-16(24)20(15)17-9-10-6-7-11(21)8-13(10)22/h2-9,21-22H,1H3,(H,19,24)/b17-9+
InChIKey
ZUTGSOUJBYPQEZ-RQZCQDPDSA-N
Compound name
4-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.07867 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.08595 179.0
[M+Na]+ 365.06789 192.3
[M+NH4]+ 360.11249 184.4
[M+K]+ 381.04183 186.1
[M-H]- 341.07139 182.2
[M+Na-2H]- 363.05334 186.0
[M]+ 342.07812 182.0
[M]- 342.07922 182.0
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.