CID 3065666

4(1h)-pyrimidinone, 2-(methyl(1-(1-(phenylmethyl)-1h-benzimidazol-2-yl)-4-piperidinyl)amino)-

Structural Information

Molecular Formula
C24H26N6O
SMILES
CN(C1CCN(CC1)C2=NC3=CC=CC=C3N2CC4=CC=CC=C4)C5=NC=CC(=O)N5
InChI
InChI=1S/C24H26N6O/c1-28(23-25-14-11-22(31)27-23)19-12-15-29(16-13-19)24-26-20-9-5-6-10-21(20)30(24)17-18-7-3-2-4-8-18/h2-11,14,19H,12-13,15-17H2,1H3,(H,25,27,31)
InChIKey
KMCSWUCZWAUAIX-UHFFFAOYSA-N
Compound name
2-[[1-(1-benzylbenzimidazol-2-yl)piperidin-4-yl]-methylamino]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.2168 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.22408 200.1
[M+Na]+ 437.20602 216.1
[M+NH4]+ 432.25062 206.4
[M+K]+ 453.17996 209.4
[M-H]- 413.20952 206.7
[M+Na-2H]- 435.19147 210.5
[M]+ 414.21625 204.3
[M]- 414.21735 204.3
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.