CID 465138

6-methoxy-2-(1-methylimidazo[4,5-b]pyridin-2-yl)-1,3-benzothiazole

Structural Information

Molecular Formula
C15H12N4OS
SMILES
CN1C2=C(N=CC=C2)N=C1C3=NC4=C(S3)C=C(C=C4)OC
InChI
InChI=1S/C15H12N4OS/c1-19-11-4-3-7-16-13(11)18-14(19)15-17-10-6-5-9(20-2)8-12(10)21-15/h3-8H,1-2H3
InChIKey
FLIUKPDNVGAGTL-UHFFFAOYSA-N
Compound name
6-methoxy-2-(1-methylimidazo[4,5-b]pyridin-2-yl)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.07318 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.08046 166.0
[M+Na]+ 319.06240 181.6
[M-H]- 295.06590 172.3
[M+NH4]+ 314.10700 183.4
[M+K]+ 335.03634 175.8
[M+H-H2O]+ 279.07044 158.5
[M+HCOO]- 341.07138 184.5
[M+CH3COO]- 355.08703 179.6
[M+Na-2H]- 317.04785 169.3
[M]+ 296.07263 175.3
[M]- 296.07373 175.3
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.