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

303
Patents

174.02516 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.032436 131.0
[M+Na]+ 197.014378 145.6
[M-H]- 173.017884 136.2
[M+NH4]+ 192.058983 155.9
[M+K]+ 212.988318 141.9
[M+H-H2O]+ 157.022420 125.9
[M+HCOO]- 219.023361 152.7
[M+CH3COO]- 233.039011 147.2
[M+Na-2H]- 194.999826 137.8
[M]+ 174.02461142 137.5
[M]- 174.02570858 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

literature stripe

Patent stripe

patents stripe