CID 122583430

Tert-butyl 2-chloro-7-oxo-4h,5h,6h,7h-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate

Structural Information

Molecular Formula
C11H13ClN2O3S
SMILES
CC(C)(C)OC(=O)N1CC2=C(C(=O)C1)SC(=N2)Cl
InChI
InChI=1S/C11H13ClN2O3S/c1-11(2,3)17-10(16)14-4-6-8(7(15)5-14)18-9(12)13-6/h4-5H2,1-3H3
InChIKey
GITJUZWPYJZQDU-UHFFFAOYSA-N
Compound name
tert-butyl 2-chloro-7-oxo-4,6-dihydro-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

288.03354 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.04082 163.5
[M+Na]+ 311.02276 173.5
[M-H]- 287.02626 166.1
[M+NH4]+ 306.06736 181.5
[M+K]+ 326.99670 170.0
[M+H-H2O]+ 271.03080 158.7
[M+HCOO]- 333.03174 171.4
[M+CH3COO]- 347.04739 195.4
[M+Na-2H]- 309.00821 163.9
[M]+ 288.03299 168.9
[M]- 288.03409 168.9
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