CID 2763860

877041-47-9

Structural Information

Molecular Formula
C14H20N2O4S
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)N
InChI
InChI=1S/C14H20N2O4S/c1-14(2,3)20-13(18)16-6-5-8-9(7-16)21-11(15)10(8)12(17)19-4/h5-7,15H2,1-4H3
InChIKey
LGHKBJKZINPCMI-UHFFFAOYSA-N
Compound name
6-O-tert-butyl 3-O-methyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

312.11438 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12166 172.3
[M+Na]+ 335.10360 179.1
[M+NH4]+ 330.14820 178.0
[M+K]+ 351.07754 176.3
[M-H]- 311.10710 171.2
[M+Na-2H]- 333.08905 172.5
[M]+ 312.11383 173.0
[M]- 312.11493 173.0
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