CID 912165

327170-78-5

Structural Information

Molecular Formula
C13H20N2O2S
SMILES
CCCN1CCC2=C(C1)SC(=C2C(=O)OCC)N
InChI
InChI=1S/C13H20N2O2S/c1-3-6-15-7-5-9-10(8-15)18-12(14)11(9)13(16)17-4-2/h3-8,14H2,1-2H3
InChIKey
RLBZVCJFQNEUII-UHFFFAOYSA-N
Compound name
ethyl 2-amino-6-propyl-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

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13182 161.9
[M+Na]+ 291.11376 168.9
[M-H]- 267.11726 164.4
[M+NH4]+ 286.15836 180.5
[M+K]+ 307.08770 165.6
[M+H-H2O]+ 251.12180 155.7
[M+HCOO]- 313.12274 176.4
[M+CH3COO]- 327.13839 198.9
[M+Na-2H]- 289.09921 160.4
[M]+ 268.12399 163.9
[M]- 268.12509 163.9
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

No patent data available for this compound.