CID 3065703

108635-82-1

Structural Information

Molecular Formula
C23H24FN7O
SMILES
CN(C1CCN(CC1)C2=NC3=C(N2CC4=CC=C(C=C4)F)N=CC=C3)C5=NC=CC(=O)N5
InChI
InChI=1S/C23H24FN7O/c1-29(22-26-12-8-20(32)28-22)18-9-13-30(14-10-18)23-27-19-3-2-11-25-21(19)31(23)15-16-4-6-17(24)7-5-16/h2-8,11-12,18H,9-10,13-15H2,1H3,(H,26,28,32)
InChIKey
RQJJBKABYTVPPP-UHFFFAOYSA-N
Compound name
2-[[1-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]piperidin-4-yl]-methylamino]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.20264 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.20992 202.6
[M+Na]+ 456.19186 217.6
[M+NH4]+ 451.23646 207.4
[M+K]+ 472.16580 211.9
[M-H]- 432.19536 206.9
[M+Na-2H]- 454.17731 211.6
[M]+ 433.20209 205.8
[M]- 433.20319 205.8
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.