CID 135608291

497823-76-4

Structural Information

Molecular Formula
C15H13N5O2S
SMILES
COC1=C(C=CC(=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=N3)O
InChI
InChI=1S/C15H13N5O2S/c1-22-13-8-10(5-6-12(13)21)9-17-20-14(18-19-15(20)23)11-4-2-3-7-16-11/h2-9,21H,1H3,(H,19,23)/b17-9+
InChIKey
CGONAPCVVKNSPB-RQZCQDPDSA-N
Compound name
4-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.079 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.08628 174.2
[M+Na]+ 350.06822 188.2
[M+NH4]+ 345.11282 179.9
[M+K]+ 366.04216 181.5
[M-H]- 326.07172 177.5
[M+Na-2H]- 348.05367 182.2
[M]+ 327.07845 177.4
[M]- 327.07955 177.4
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.