CID 3067430

Brn 5073392

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]+ 284.08522 163.5
[M+Na]+ 306.06716 174.9
[M-H]- 282.07066 168.3
[M+NH4]+ 301.11176 176.9
[M+K]+ 322.04110 167.0
[M+H-H2O]+ 266.07520 155.4
[M+HCOO]- 328.07614 178.4
[M+CH3COO]- 342.09179 174.9
[M+Na-2H]- 304.05261 163.9
[M]+ 283.07739 163.8
[M]- 283.07849 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.