CID 165948498

Methyl 2-bromo-5-methyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate

Structural Information

Molecular Formula
C9H7BrN2O2S
SMILES
CC1=CC(=C2C(=N1)N=C(S2)Br)C(=O)OC
InChI
InChI=1S/C9H7BrN2O2S/c1-4-3-5(8(13)14-2)6-7(11-4)12-9(10)15-6/h3H,1-2H3
InChIKey
MQCCMZLDYXLARZ-UHFFFAOYSA-N
Compound name
methyl 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

285.94116 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.94844 142.9
[M+Na]+ 308.93038 159.1
[M-H]- 284.93388 149.5
[M+NH4]+ 303.97498 164.4
[M+K]+ 324.90432 148.0
[M+H-H2O]+ 268.93842 143.6
[M+HCOO]- 330.93936 159.8
[M+CH3COO]- 344.95501 194.1
[M+Na-2H]- 306.91583 148.5
[M]+ 285.94061 168.4
[M]- 285.94171 168.4
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.