CID 737312

Imidazo[1,5-a]pyridine-3-thiol

Structural Information

Molecular Formula
C7H6N2S
SMILES
C1=CC2=CNC(=S)N2C=C1
InChI
InChI=1S/C7H6N2S/c10-7-8-5-6-3-1-2-4-9(6)7/h1-5H,(H,8,10)
InChIKey
IPOYUTJDAMAUNH-UHFFFAOYSA-N
Compound name
2H-imidazo[1,5-a]pyridine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

16
Patents

150.02516 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.03244 125.0
[M+Na]+ 173.01438 137.5
[M-H]- 149.01788 126.9
[M+NH4]+ 168.05898 147.0
[M+K]+ 188.98832 132.8
[M+H-H2O]+ 133.02242 119.5
[M+HCOO]- 195.02336 143.5
[M+CH3COO]- 209.03901 139.7
[M+Na-2H]- 170.99983 131.2
[M]+ 150.02461 126.6
[M]- 150.02571 126.6
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

patents stripe