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

5
Patents

268.08817 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09545 162.3
[M+Na]+ 291.07739 170.5
[M-H]- 267.08089 164.2
[M+NH4]+ 286.12199 180.0
[M+K]+ 307.05133 168.3
[M+H-H2O]+ 251.08543 156.4
[M+HCOO]- 313.08637 174.5
[M+CH3COO]- 327.10202 193.4
[M+Na-2H]- 289.06284 163.2
[M]+ 268.08762 165.9
[M]- 268.08872 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