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 177.7
[M+Na]+ 365.06789 188.1
[M-H]- 341.07139 182.6
[M+NH4]+ 360.11249 188.1
[M+K]+ 381.04183 180.5
[M+H-H2O]+ 325.07593 168.9
[M+HCOO]- 387.07687 193.7
[M+CH3COO]- 401.09252 187.9
[M+Na-2H]- 363.05334 178.0
[M]+ 342.07812 179.9
[M]- 342.07922 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.