CID 56933304

Vilzemetkib

Structural Information

Molecular Formula
C36H36F2N4O5
SMILES
COC1=CC2=C(C=CN=C2C=C1OCC3(CC3)NC4CCCC4)OC5=C(C=C(C=C5)NC(=O)C6(CC6)C(=O)NC7=CC=C(C=C7)F)F
InChI
InChI=1S/C36H36F2N4O5/c1-45-31-19-26-28(20-32(31)46-21-35(13-14-35)42-24-4-2-3-5-24)39-17-12-29(26)47-30-11-10-25(18-27(30)38)41-34(44)36(15-16-36)33(43)40-23-8-6-22(37)7-9-23/h6-12,17-20,24,42H,2-5,13-16,21H2,1H3,(H,40,43)(H,41,44)
InChIKey
IXDALXNUFGTEMF-UHFFFAOYSA-N
Compound name
1-N'-[4-[7-[[1-(cyclopentylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

642.2654 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 643.27268 221.7
[M+Na]+ 665.25462 223.8
[M-H]- 641.25812 233.1
[M+NH4]+ 660.29922 216.8
[M+K]+ 681.22856 221.8
[M+H-H2O]+ 625.26266 214.3
[M+HCOO]- 687.26360 235.0
[M+CH3COO]- 701.27925 224.8
[M+Na-2H]- 663.24007 220.3
[M]+ 642.26485 225.4
[M]- 642.26595 225.4
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

No patent data available for this compound.