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 149.8
[M+Na]+ 270.01301 164.9
[M-H]- 246.01651 154.7
[M+NH4]+ 265.05761 169.4
[M+K]+ 285.98695 158.2
[M+H-H2O]+ 230.02105 144.9
[M+HCOO]- 292.02199 163.2
[M+CH3COO]- 306.03764 163.6
[M+Na-2H]- 267.99846 149.9
[M]+ 247.02324 154.3
[M]- 247.02434 154.3
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.