PubChemLite - Mk-8825 (C31H30F2N6O3)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Adduct

m/z

Predicted CCS (Å²)

[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 (Å²) per adduct calculated using CCSbase.

Mk-8825

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe