CID 2383729

500112-74-3

Structural Information

Molecular Formula
C11H9N3S2
SMILES
CC1=CC=C(C=C1)C2=CSC3=NNC(=S)N23
InChI
InChI=1S/C11H9N3S2/c1-7-2-4-8(5-3-7)9-6-16-11-13-12-10(15)14(9)11/h2-6H,1H3,(H,12,15)
InChIKey
LNDYWRMGFKFDTC-UHFFFAOYSA-N
Compound name
5-(4-methylphenyl)-2H-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

247.02379 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.03107 150.8
[M+Na]+ 270.01301 165.1
[M+NH4]+ 265.05761 160.1
[M+K]+ 285.98695 157.3
[M-H]- 246.01651 154.0
[M+Na-2H]- 267.99846 156.9
[M]+ 247.02324 154.7
[M]- 247.02434 154.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.