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 185.1
[M-H]- 326.07172 179.0
[M+NH4]+ 345.11282 184.5
[M+K]+ 366.04216 177.5
[M+H-H2O]+ 310.07626 164.6
[M+HCOO]- 372.07720 190.5
[M+CH3COO]- 386.09285 184.6
[M+Na-2H]- 348.05367 175.8
[M]+ 327.07845 176.5
[M]- 327.07955 176.5
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.