CID 5271639

2-(3-phenylpropyl)isothiazolo[5,4-b]pyridine-3-thione

Structural Information

Molecular Formula
C15H14N2S2
SMILES
C1=CC=C(C=C1)CCCN2C(=S)C3=C(S2)N=CC=C3
InChI
InChI=1S/C15H14N2S2/c18-15-13-9-4-10-16-14(13)19-17(15)11-5-8-12-6-2-1-3-7-12/h1-4,6-7,9-10H,5,8,11H2
InChIKey
VBKBILVBUKQBEI-UHFFFAOYSA-N
Compound name
2-(3-phenylpropyl)-[1,2]thiazolo[5,4-b]pyridine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.05984 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.06712 160.1
[M+Na]+ 309.04906 172.7
[M-H]- 285.05256 166.0
[M+NH4]+ 304.09366 177.7
[M+K]+ 325.02300 165.1
[M+H-H2O]+ 269.05710 153.5
[M+HCOO]- 331.05804 173.9
[M+CH3COO]- 345.07369 172.7
[M+Na-2H]- 307.03451 162.5
[M]+ 286.05929 165.3
[M]- 286.06039 165.3
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.