CID 486298

Benzo[d]imidazo[2,1-b]thiazole

Structural Information

Molecular Formula
C9H6N2S
SMILES
C1=CC=C2C(=C1)N3C=CN=C3S2
InChI
InChI=1S/C9H6N2S/c1-2-4-8-7(3-1)11-6-5-10-9(11)12-8/h1-6H
InChIKey
RBQGKSWYSQGVDV-UHFFFAOYSA-N
Compound name
imidazo[2,1-b][1,3]benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

272
Patents

174.02516 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.03244 131.0
[M+Na]+ 197.01438 145.6
[M-H]- 173.01788 136.2
[M+NH4]+ 192.05898 155.9
[M+K]+ 212.98832 141.9
[M+H-H2O]+ 157.02242 125.9
[M+HCOO]- 219.02336 152.7
[M+CH3COO]- 233.03901 147.2
[M+Na-2H]- 194.99983 137.8
[M]+ 174.02461 137.5
[M]- 174.02571 137.5
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.