CID 6878695

497823-70-8

Structural Information

Molecular Formula
C20H15N5OS
SMILES
C1=CC=C(C=C1)OC2=CC=CC(=C2)/C=N/N3C(=NNC3=S)C4=CC=CC=N4
InChI
InChI=1S/C20H15N5OS/c27-20-24-23-19(18-11-4-5-12-21-18)25(20)22-14-15-7-6-10-17(13-15)26-16-8-2-1-3-9-16/h1-14H,(H,24,27)/b22-14+
InChIKey
UUXCKGVFTKCCRY-HYARGMPZSA-N
Compound name
4-[(E)-(3-phenoxyphenyl)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

373.09973 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.10701 186.5
[M+Na]+ 396.08895 196.5
[M-H]- 372.09245 194.9
[M+NH4]+ 391.13355 194.8
[M+K]+ 412.06289 187.4
[M+H-H2O]+ 356.09699 175.1
[M+HCOO]- 418.09793 203.8
[M+CH3COO]- 432.11358 196.2
[M+Na-2H]- 394.07440 189.1
[M]+ 373.09918 187.8
[M]- 373.10028 187.8
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.