CID 207312

Thieno(2,3-c)pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-2-amino-6-cyclohexyl-, ethyl ester, monohydrochloride

Structural Information

Molecular Formula
C16H24N2O2S
SMILES
CCOC(=O)C1=C(SC2=C1CCN(C2)C3CCCCC3)N
InChI
InChI=1S/C16H24N2O2S/c1-2-20-16(19)14-12-8-9-18(10-13(12)21-15(14)17)11-6-4-3-5-7-11/h11H,2-10,17H2,1H3
InChIKey
YRZSKXGJEJRYAQ-UHFFFAOYSA-N
Compound name
ethyl 2-amino-6-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

308.15585 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.16313 172.3
[M+Na]+ 331.14507 176.4
[M-H]- 307.14857 176.7
[M+NH4]+ 326.18967 188.6
[M+K]+ 347.11901 172.5
[M+H-H2O]+ 291.15311 165.2
[M+HCOO]- 353.15405 183.1
[M+CH3COO]- 367.16970 204.9
[M+Na-2H]- 329.13052 169.1
[M]+ 308.15530 168.8
[M]- 308.15640 168.8
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