PubChemLite - Fhd-609 (C47H56N8O6)

Structural Information

Molecular Formula

SMILES

CN1C=C(C2=CC(=NC=C2C1=O)N3CCC3)C4=CC(=C(C(=C4)OC)CN5CCC(CC5)CN6CCC7(CC6)CN(C7)C8=CC9=C(CN(C9=O)[C@H]1CCC(=O)NC1=O)C=C8)OC

InChI

InChI=1S/C47H56N8O6/c1-50-26-37(35-22-42(53-13-4-14-53)48-23-36(35)45(50)58)32-19-40(60-2)38(41(20-32)61-3)27-51-15-9-30(10-16-51)24-52-17-11-47(12-18-52)28-54(29-47)33-6-5-31-25-55(46(59)34(31)21-33)39-7-8-43(56)49-44(39)57/h5-6,19-23,26,30,39H,4,7-18,24-25,27-29H2,1-3H3,(H,49,56,57)/t39-/m0/s1

InChIKey

OBNRBCUHEAAFPS-KDXMTYKHSA-N

Compound name

(3S)-3-[5-[7-[[1-[[4-[6-(azetidin-1-yl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

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]+	829.43958	286.0
[M+Na]+	851.42152	282.2
[M-H]-	827.42502	291.7
[M+NH4]+	846.46612	262.4
[M+K]+	867.39546	280.7
[M+H-H2O]+	811.42956	256.7
[M+HCOO]-	873.43050	275.2
[M+CH3COO]-	887.44615	279.4
[M+Na-2H]-	849.40697	269.6
[M]+	828.43175	290.4
[M]-	828.43285	290.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

829.43958

286.0

[M+Na]+

851.42152

282.2

[M-H]-

827.42502

291.7

[M+NH4]+

846.46612

262.4

[M+K]+

867.39546

280.7

[M+H-H2O]+

811.42956

256.7

[M+HCOO]-

873.43050

275.2

[M+CH3COO]-

887.44615

279.4

[M+Na-2H]-

849.40697

269.6

[M]+

828.43175

290.4

[M]-

828.43285

290.4

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

Fhd-609

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe