CID 56944164

Mk-8825

Structural Information

Molecular Formula
C31H30F2N6O3
SMILES
C[C@]1(CNC2(CCCC2)C(=O)N1CC(=O)NC3=CC4=C(C[C@@]5(C4)C6=C(NC5=O)N=CC=C6)N=C3)C7=CC(=CC(=C7)F)F
InChI
InChI=1S/C31H30F2N6O3/c1-29(19-10-20(32)12-21(33)11-19)17-36-31(6-2-3-7-31)28(42)39(29)16-25(40)37-22-9-18-13-30(14-24(18)35-15-22)23-5-4-8-34-26(23)38-27(30)41/h4-5,8-12,15,36H,2-3,6-7,13-14,16-17H2,1H3,(H,37,40)(H,34,38,41)/t29-,30-/m0/s1
InChIKey
IDKKNSOZWQOAAS-KYJUHHDHSA-N
Compound name
2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

572.23474 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.24202 231.4
[M+Na]+ 595.22396 238.5
[M-H]- 571.22746 236.8
[M+NH4]+ 590.26856 239.9
[M+K]+ 611.19790 229.0
[M+H-H2O]+ 555.23200 217.3
[M+HCOO]- 617.23294 235.3
[M+CH3COO]- 631.24859 235.0
[M+Na-2H]- 593.20941 224.2
[M]+ 572.23419 223.3
[M]- 572.23529 223.3
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

No patent data available for this compound.