CID 16659778

Mk-7288 free base

Structural Information

Molecular Formula
C22H31N3O4
SMILES
CN(CCN1CCCCC1)C(=O)C2CCC3(CC2)C4=C(C(=O)O3)N=C(C=C4)OC
InChI
InChI=1S/C22H31N3O4/c1-24(14-15-25-12-4-3-5-13-25)20(26)16-8-10-22(11-9-16)17-6-7-18(28-2)23-19(17)21(27)29-22/h6-7,16H,3-5,8-15H2,1-2H3
InChIKey
QTAKNJDNFNDYPP-UHFFFAOYSA-N
Compound name
2'-methoxy-N-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

401.23145 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.23873 197.8
[M+Na]+ 424.22067 206.3
[M+NH4]+ 419.26527 205.3
[M+K]+ 440.19461 200.9
[M-H]- 400.22417 202.3
[M+Na-2H]- 422.20612 201.1
[M]+ 401.23090 200.0
[M]- 401.23200 200.0
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