CID 6878938

478257-48-6

Structural Information

Molecular Formula
C22H18N4OS
SMILES
COC1=CC=CC=C1C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H18N4OS/c1-27-20-10-6-5-9-19(20)21-24-25-22(28)26(21)23-15-16-11-13-18(14-12-16)17-7-3-2-4-8-17/h2-15H,1H3,(H,25,28)/b23-15+
InChIKey
HCAUTFOCINESLO-HZHRSRAPSA-N
Compound name
3-(2-methoxyphenyl)-4-[(E)-(4-phenylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.12012 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.12740 191.0
[M+Na]+ 409.10934 207.9
[M+NH4]+ 404.15394 198.6
[M+K]+ 425.08328 198.0
[M-H]- 385.11284 198.8
[M+Na-2H]- 407.09479 203.0
[M]+ 386.11957 196.2
[M]- 386.12067 196.2
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.