CID 492052

Chembl341683

Structural Information

Molecular Formula
C20H26N2O3
SMILES
CCCCOC1=NC(=CC(=O)N1C)CC2(CCCO2)C3=CC=CC=C3
InChI
InChI=1S/C20H26N2O3/c1-3-4-12-24-19-21-17(14-18(23)22(19)2)15-20(11-8-13-25-20)16-9-6-5-7-10-16/h5-7,9-10,14H,3-4,8,11-13,15H2,1-2H3
InChIKey
YLRDZSMNEMEGSG-UHFFFAOYSA-N
Compound name
2-butoxy-3-methyl-6-[(2-phenyloxolan-2-yl)methyl]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.19434 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.20162 181.8
[M+Na]+ 365.18356 188.8
[M-H]- 341.18706 189.2
[M+NH4]+ 360.22816 194.6
[M+K]+ 381.15750 185.5
[M+H-H2O]+ 325.19160 171.8
[M+HCOO]- 387.19254 200.6
[M+CH3COO]- 401.20819 210.1
[M+Na-2H]- 363.16901 183.8
[M]+ 342.19379 184.8
[M]- 342.19489 184.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.