CID 135630534

2-(((3-mercapto-5-(2-pyridinyl)-4h-1,2,4-triazol-4-yl)imino)methyl)phenol

Structural Information

Molecular Formula
C14H11N5OS
SMILES
C1=CC=C(C(=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=N3)O
InChI
InChI=1S/C14H11N5OS/c20-12-7-2-1-5-10(12)9-16-19-13(17-18-14(19)21)11-6-3-4-8-15-11/h1-9,20H,(H,18,21)/b16-9+
InChIKey
OXKNAHCVOLARDW-CXUHLZMHSA-N
Compound name
4-[(E)-(2-hydroxyphenyl)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

297.06842 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.07570 165.6
[M+Na]+ 320.05764 180.0
[M+NH4]+ 315.10224 172.1
[M+K]+ 336.03158 172.8
[M-H]- 296.06114 169.4
[M+Na-2H]- 318.04309 174.6
[M]+ 297.06787 169.0
[M]- 297.06897 169.0
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.