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 200.2
[M+Na]+ 438.20129 206.8
[M-H]- 414.20479 205.7
[M+NH4]+ 433.24589 203.4
[M+K]+ 454.17523 198.0
[M+H-H2O]+ 398.20933 185.4
[M+HCOO]- 460.21027 213.2
[M+CH3COO]- 474.22592 206.6
[M+Na-2H]- 436.18674 202.7
[M]+ 415.21152 197.4
[M]- 415.21262 197.4
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.