CID 3065680

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

Structural Information

Molecular Formula
C23H25N7O
SMILES
CN(C1CCN(CC1)C2=NC3=CC=CC=C3N2CC4=CC=CC=N4)C5=NC=CC(=O)N5
InChI
InChI=1S/C23H25N7O/c1-28(22-25-13-9-21(31)27-22)18-10-14-29(15-11-18)23-26-19-7-2-3-8-20(19)30(23)16-17-6-4-5-12-24-17/h2-9,12-13,18H,10-11,14-16H2,1H3,(H,25,27,31)
InChIKey
WUKOJVKGLLIDEZ-UHFFFAOYSA-N
Compound name
2-[methyl-[1-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]piperidin-4-yl]amino]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.21207 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.21935 198.9
[M+Na]+ 438.20129 214.8
[M+NH4]+ 433.24589 204.5
[M+K]+ 454.17523 208.7
[M-H]- 414.20479 204.7
[M+Na-2H]- 436.18674 209.0
[M]+ 415.21152 202.7
[M]- 415.21262 202.7
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

No patent data available for this compound.