CID 50987695

5-{6-bromo-1h-imidazo[4,5-b]pyridin-2-yl}-4-methyl-1,3-thiazole

Structural Information

Molecular Formula
C10H7BrN4S
SMILES
CC1=C(SC=N1)C2=NC3=C(N2)C=C(C=N3)Br
InChI
InChI=1S/C10H7BrN4S/c1-5-8(16-4-13-5)10-14-7-2-6(11)3-12-9(7)15-10/h2-4H,1H3,(H,12,14,15)
InChIKey
ZSOZQDBIHDJAGJ-UHFFFAOYSA-N
Compound name
5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.9575 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.96478 146.1
[M+Na]+ 316.94672 163.6
[M-H]- 292.95022 152.7
[M+NH4]+ 311.99132 166.0
[M+K]+ 332.92066 151.1
[M+H-H2O]+ 276.95476 146.7
[M+HCOO]- 338.95570 162.1
[M+CH3COO]- 352.97135 161.9
[M+Na-2H]- 314.93217 150.8
[M]+ 293.95695 168.6
[M]- 293.95805 168.6
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.