CID 135651193

613248-51-4

Structural Information

Molecular Formula
C14H9I2N5OS
SMILES
C1=CC=NC(=C1)C2=NNC(=S)N2/N=C/C3=C(C(=CC(=C3)I)I)O
InChI
InChI=1S/C14H9I2N5OS/c15-9-5-8(12(22)10(16)6-9)7-18-21-13(19-20-14(21)23)11-3-1-2-4-17-11/h1-7,22H,(H,20,23)/b18-7+
InChIKey
LEIOIZSEWBIEHX-CNHKJKLMSA-N
Compound name
4-[(E)-(2-hydroxy-3,5-diiodophenyl)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

548.86176 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.86904 192.1
[M+Na]+ 571.85098 189.6
[M+NH4]+ 566.89558 189.3
[M+K]+ 587.82492 189.8
[M-H]- 547.85448 183.5
[M+Na-2H]- 569.83643 177.6
[M]+ 548.86121 187.6
[M]- 548.86231 187.6
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.