CID 135651181

613248-93-4

Structural Information

Molecular Formula
C16H14N4O2S
SMILES
COC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC=CC=C3O
InChI
InChI=1S/C16H14N4O2S/c1-22-13-7-4-6-11(9-13)15-18-19-16(23)20(15)17-10-12-5-2-3-8-14(12)21/h2-10,21H,1H3,(H,19,23)/b17-10+
InChIKey
IQEGIDLHCFOVHO-LICLKQGHSA-N
Compound name
4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.08374 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.09102 174.7
[M+Na]+ 349.07296 188.8
[M+NH4]+ 344.11756 181.2
[M+K]+ 365.04690 181.5
[M-H]- 325.07646 178.9
[M+Na-2H]- 347.05841 183.0
[M]+ 326.08319 178.2
[M]- 326.08429 178.2
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.