CID 11162951

2-bromo-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine, n-boc protected

Structural Information

Molecular Formula
C11H15BrN2O2S
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)SC(=N2)Br
InChI
InChI=1S/C11H15BrN2O2S/c1-11(2,3)16-10(15)14-5-4-7-8(6-14)17-9(12)13-7/h4-6H2,1-3H3
InChIKey
RXXKNZKFRAFFOH-UHFFFAOYSA-N
Compound name
tert-butyl 2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

259
Patents

318.00375 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.01103 159.7
[M+Na]+ 340.99297 171.8
[M-H]- 316.99647 164.7
[M+NH4]+ 336.03757 179.6
[M+K]+ 356.96691 161.2
[M+H-H2O]+ 301.00101 160.5
[M+HCOO]- 363.00195 170.4
[M+CH3COO]- 377.01760 198.6
[M+Na-2H]- 338.97842 162.9
[M]+ 318.00320 180.9
[M]- 318.00430 180.9
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

patents stripe