CID 54677674

Prx-03140

Structural Information

Molecular Formula
C19H27N3O3S
SMILES
CC(C)N1C2=C(C=CS2)C(=C(C1=O)C(=O)NCCCN3CCCCC3)O
InChI
InChI=1S/C19H27N3O3S/c1-13(2)22-18(25)15(16(23)14-7-12-26-19(14)22)17(24)20-8-6-11-21-9-4-3-5-10-21/h7,12-13,23H,3-6,8-11H2,1-2H3,(H,20,24)
InChIKey
SCHKZZSVELPJKU-UHFFFAOYSA-N
Compound name
4-hydroxy-6-oxo-N-(3-piperidin-1-ylpropyl)-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

969
Patents

377.1773 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.18458 188.6
[M+Na]+ 400.16652 198.0
[M+NH4]+ 395.21112 194.4
[M+K]+ 416.14046 192.5
[M-H]- 376.17002 190.3
[M+Na-2H]- 398.15197 191.4
[M]+ 377.17675 190.5
[M]- 377.17785 190.5
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