CID 465137

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

Structural Information

Molecular Formula
C15H12N4S
SMILES
CC1=CC2=C(C=C1)N=C(S2)C3=NC4=C(N3C)C=CC=N4
InChI
InChI=1S/C15H12N4S/c1-9-5-6-10-12(8-9)20-15(17-10)14-18-13-11(19(14)2)4-3-7-16-13/h3-8H,1-2H3
InChIKey
JYQXCMZBRLBOPK-UHFFFAOYSA-N
Compound name
6-methyl-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

280.07828 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.08556 162.8
[M+Na]+ 303.06750 178.7
[M-H]- 279.07100 169.0
[M+NH4]+ 298.11210 180.9
[M+K]+ 319.04144 172.2
[M+H-H2O]+ 263.07554 155.4
[M+HCOO]- 325.07648 181.1
[M+CH3COO]- 339.09213 176.6
[M+Na-2H]- 301.05295 165.9
[M]+ 280.07773 170.8
[M]- 280.07883 170.8
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.