CID 13505522

4(1h)-pyrimidinone, 2-((3-((2-((dimethylamino)methyl)-1h-benzimidazol-5-yl)oxy)propyl)amino)-5-(3-pyridinylmethyl)-

Structural Information

Molecular Formula
C23H27N7O2
SMILES
CN(C)CC1=NC2=C(N1)C=C(C=C2)OCCCNC3=NC=C(C(=O)N3)CC4=CN=CC=C4
InChI
InChI=1S/C23H27N7O2/c1-30(2)15-21-27-19-7-6-18(12-20(19)28-21)32-10-4-9-25-23-26-14-17(22(31)29-23)11-16-5-3-8-24-13-16/h3,5-8,12-14H,4,9-11,15H2,1-2H3,(H,27,28)(H2,25,26,29,31)
InChIKey
YXBVSAKZABABEW-UHFFFAOYSA-N
Compound name
2-[3-[[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]oxy]propylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.22263 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.22991 204.6
[M+Na]+ 456.21185 218.2
[M+NH4]+ 451.25645 208.6
[M+K]+ 472.18579 213.0
[M-H]- 432.21535 208.4
[M+Na-2H]- 454.19730 212.6
[M]+ 433.22208 207.3
[M]- 433.22318 207.3
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.