CID 156817975

Fhd-609

Structural Information

Molecular Formula
C47H56N8O6
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

compound 2d structure
1
Annotation Hits

1
References

5
Patents

828.4323 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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 (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe