CID 3067430

81518-28-7

Structural Information

Molecular Formula
C15H13N3OS
SMILES
CC1=CC=CC=C1N2C(=NNC2=S)C3=CC=CC=C3O
InChI
InChI=1S/C15H13N3OS/c1-10-6-2-4-8-12(10)18-14(16-17-15(18)20)11-7-3-5-9-13(11)19/h2-9,19H,1H3,(H,17,20)
InChIKey
OXPSQUZEGAMFGB-UHFFFAOYSA-N
Compound name
3-(2-hydroxyphenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.07794 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.085216 163.5
[M+Na]+ 306.067158 174.9
[M-H]- 282.070664 168.3
[M+NH4]+ 301.111763 176.9
[M+K]+ 322.041098 167.0
[M+H-H2O]+ 266.075200 155.4
[M+HCOO]- 328.076141 178.4
[M+CH3COO]- 342.091791 174.9
[M+Na-2H]- 304.052606 163.9
[M]+ 283.07739142 163.8
[M]- 283.07848858 163.8
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.