CID 671405

2-(4-morpholinylcarbonyl)-6,7,8,9-tetrahydro-5h-cyclohepta[b]thieno[3,2-e]pyridin-3-amine

Structural Information

Molecular Formula
C17H21N3O2S
SMILES
C1CCC2=CC3=C(N=C2CC1)SC(=C3N)C(=O)N4CCOCC4
InChI
InChI=1S/C17H21N3O2S/c18-14-12-10-11-4-2-1-3-5-13(11)19-16(12)23-15(14)17(21)20-6-8-22-9-7-20/h10H,1-9,18H2
InChIKey
NSLXIAJZVXJDRY-UHFFFAOYSA-N
Compound name
(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

12
Patents

331.13544 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.14272 178.2
[M+Na]+ 354.12466 187.3
[M+NH4]+ 349.16926 185.7
[M+K]+ 370.09860 182.4
[M-H]- 330.12816 182.6
[M+Na-2H]- 352.11011 181.2
[M]+ 331.13489 181.1
[M]- 331.13599 181.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe