CID 90433770

7-[[2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-10-hydroxy-6-methyl-8-oxo-n-[4-(trifluoromethyl)-2-[6-(trifluoromethyl)pyrimidin-4-yl]phenyl]-6,7-diazaspiro[4.5]dec-9-ene-9-carboxamide

Structural Information

Molecular Formula
C35H36F8N6O5
SMILES
CN1C2(CCCC2)C(=C(C(=O)N1CC3=C(C(=C(C=C3)OCCN(C)CCOC)F)F)C(=O)NC4=C(C=C(C=C4)C(F)(F)F)C5=CC(=NC=N5)C(F)(F)F)O
InChI
InChI=1S/C35H36F8N6O5/c1-47(12-14-53-3)13-15-54-25-9-6-20(28(36)29(25)37)18-49-32(52)27(30(50)33(48(49)2)10-4-5-11-33)31(51)46-23-8-7-21(34(38,39)40)16-22(23)24-17-26(35(41,42)43)45-19-44-24/h6-9,16-17,19,50H,4-5,10-15,18H2,1-3H3,(H,46,51)
InChIKey
CCBKKKYZCOBIJN-UHFFFAOYSA-N
Compound name
7-[[2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-10-hydroxy-6-methyl-8-oxo-N-[4-(trifluoromethyl)-2-[6-(trifluoromethyl)pyrimidin-4-yl]phenyl]-6,7-diazaspiro[4.5]dec-9-ene-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

772.26196 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 773.26924 278.5
[M+Na]+ 795.25118 283.6
[M-H]- 771.25468 278.6
[M+NH4]+ 790.29578 272.0
[M+K]+ 811.22512 276.8
[M+H-H2O]+ 755.25922 259.3
[M+HCOO]- 817.26016 278.3
[M+CH3COO]- 831.27581 293.4
[M+Na-2H]- 793.23663 270.7
[M]+ 772.26141 272.7
[M]- 772.26251 272.7
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