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]+ 343.085946 177.7
[M+Na]+ 365.067888 188.1
[M-H]- 341.071394 182.6
[M+NH4]+ 360.112493 188.1
[M+K]+ 381.041828 180.5
[M+H-H2O]+ 325.075930 168.9
[M+HCOO]- 387.076871 193.7
[M+CH3COO]- 401.092521 187.9
[M+Na-2H]- 363.053336 178.0
[M]+ 342.07812142 179.9
[M]- 342.07921858 179.9
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.