CID 165889829

Ethyl2-bromo-5-methyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate

Structural Information

Molecular Formula
C10H9BrN2O2S
SMILES
CCOC(=O)C1=C2C(=NC(=C1)C)N=C(S2)Br
InChI
InChI=1S/C10H9BrN2O2S/c1-3-15-9(14)6-4-5(2)12-8-7(6)16-10(11)13-8/h4H,3H2,1-2H3
InChIKey
BGCUAJIHCRNCQY-UHFFFAOYSA-N
Compound name
ethyl 2-bromo-5-methyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.95682 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.96410 147.5
[M+Na]+ 322.94604 163.2
[M-H]- 298.94954 153.8
[M+NH4]+ 317.99064 168.4
[M+K]+ 338.91998 151.9
[M+H-H2O]+ 282.95408 148.0
[M+HCOO]- 344.95502 164.0
[M+CH3COO]- 358.97067 196.9
[M+Na-2H]- 320.93149 152.5
[M]+ 299.95627 173.2
[M]- 299.95737 173.2
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.