CID 45489911

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

Structural Information

Molecular Formula
C12H16N2O3S
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)SC(=N2)C=O
InChI
InChI=1S/C12H16N2O3S/c1-12(2,3)17-11(16)14-5-4-8-9(6-14)18-10(7-15)13-8/h7H,4-6H2,1-3H3
InChIKey
LFDDAPVYLFAUEY-UHFFFAOYSA-N
Compound name
tert-butyl 2-formyl-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

7
Patents

268.08817 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.095446 162.3
[M+Na]+ 291.077388 170.5
[M-H]- 267.080894 164.2
[M+NH4]+ 286.121993 180.0
[M+K]+ 307.051328 168.3
[M+H-H2O]+ 251.085430 156.4
[M+HCOO]- 313.086371 174.5
[M+CH3COO]- 327.102021 193.4
[M+Na-2H]- 289.062836 163.2
[M]+ 268.08762142 165.9
[M]- 268.08871858 165.9
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