CID 3065681

108612-73-3

Structural Information

Molecular Formula
C22H24N6O2
SMILES
CN(C1CCN(CC1)C2=NC3=CC=CC=C3N2CC4=CC=CO4)C5=NC=CC(=O)N5
InChI
InChI=1S/C22H24N6O2/c1-26(21-23-11-8-20(29)25-21)16-9-12-27(13-10-16)22-24-18-6-2-3-7-19(18)28(22)15-17-5-4-14-30-17/h2-8,11,14,16H,9-10,12-13,15H2,1H3,(H,23,25,29)
InChIKey
KKFIBQLXVNJFKP-UHFFFAOYSA-N
Compound name
2-[[1-[1-(furan-2-ylmethyl)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

404.19608 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.20336 193.8
[M+Na]+ 427.18530 200.8
[M-H]- 403.18880 202.3
[M+NH4]+ 422.22990 199.7
[M+K]+ 443.15924 195.2
[M+H-H2O]+ 387.19334 181.3
[M+HCOO]- 449.19428 209.1
[M+CH3COO]- 463.20993 202.0
[M+Na-2H]- 425.17075 193.7
[M]+ 404.19553 193.4
[M]- 404.19663 193.4
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.