CID 3065678

108612-70-0

Structural Information

Molecular Formula
C25H24F4N6O
SMILES
CN(C1CCN(CC1)C2=NC3=CC=CC=C3N2CC4=CC(=C(C=C4)F)C(F)(F)F)C5=NC=CC(=O)N5
InChI
InChI=1S/C25H24F4N6O/c1-33(23-30-11-8-22(36)32-23)17-9-12-34(13-10-17)24-31-20-4-2-3-5-21(20)35(24)15-16-6-7-19(26)18(14-16)25(27,28)29/h2-8,11,14,17H,9-10,12-13,15H2,1H3,(H,30,32,36)
InChIKey
GUNWKNOCPVTUHD-UHFFFAOYSA-N
Compound name
2-[[1-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]piperidin-4-yl]-methylamino]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.19476 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.20204 208.2
[M+Na]+ 523.18398 217.9
[M+NH4]+ 518.22858 210.2
[M+K]+ 539.15792 213.9
[M-H]- 499.18748 207.6
[M+Na-2H]- 521.16943 213.4
[M]+ 500.19421 209.0
[M]- 500.19531 209.0
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.