CID 658687

78291-99-3

Structural Information

Molecular Formula
C9H9N3S
SMILES
C1CN2C3=C(C=CC(=C3)N)SC2=N1
InChI
InChI=1S/C9H9N3S/c10-6-1-2-8-7(5-6)12-4-3-11-9(12)13-8/h1-2,5H,3-4,10H2
InChIKey
HJCGGAYYNMECPO-UHFFFAOYSA-N
Compound name
1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

70
Patents

191.05171 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.058986 137.0
[M+Na]+ 214.040928 148.2
[M-H]- 190.044434 140.5
[M+NH4]+ 209.085533 160.4
[M+K]+ 230.014868 144.6
[M+H-H2O]+ 174.048970 131.6
[M+HCOO]- 236.049911 154.6
[M+CH3COO]- 250.065561 150.9
[M+Na-2H]- 212.026376 140.2
[M]+ 191.05116142 138.0
[M]- 191.05225858 138.0
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