CID 3065665

108612-57-3

Structural Information

Molecular Formula
C17H20N6O
SMILES
CN(C1CCN(CC1)C2=NC3=CC=CC=C3N2)C4=NC=CC(=O)N4
InChI
InChI=1S/C17H20N6O/c1-22(16-18-9-6-15(24)21-16)12-7-10-23(11-8-12)17-19-13-4-2-3-5-14(13)20-17/h2-6,9,12H,7-8,10-11H2,1H3,(H,19,20)(H,18,21,24)
InChIKey
SZWDBXUHSGNXHV-UHFFFAOYSA-N
Compound name
2-[[1-(1H-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

324.16986 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.17714 175.6
[M+Na]+ 347.15908 182.7
[M-H]- 323.16258 178.5
[M+NH4]+ 342.20368 184.0
[M+K]+ 363.13302 175.6
[M+H-H2O]+ 307.16712 163.6
[M+HCOO]- 369.16806 190.0
[M+CH3COO]- 383.18371 183.9
[M+Na-2H]- 345.14453 179.5
[M]+ 324.16931 171.2
[M]- 324.17041 171.2
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.