CID 1888273

353467-24-0

Structural Information

Molecular Formula
C13H20N2O2S
SMILES
CC(C)(C)OC(=O)C1=C(SC2=C1CCN(C2)C)N
InChI
InChI=1S/C13H20N2O2S/c1-13(2,3)17-12(16)10-8-5-6-15(4)7-9(8)18-11(10)14/h5-7,14H2,1-4H3
InChIKey
RVNNJSVXSVSIAJ-UHFFFAOYSA-N
Compound name
tert-butyl 2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.12454 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13182 162.8
[M+Na]+ 291.11376 171.1
[M+NH4]+ 286.15836 170.3
[M+K]+ 307.08770 166.7
[M-H]- 267.11726 163.3
[M+Na-2H]- 289.09921 164.4
[M]+ 268.12399 164.4
[M]- 268.12509 164.4
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

No patent data available for this compound.