CID 135483746

6-benzyl-2-[(tetrahydrofuranyl)methoxy]pyrimidin-4-one

Structural Information

Molecular Formula
C16H18N2O3
SMILES
C1CC(OC1)COC2=NC(=CC(=O)N2)CC3=CC=CC=C3
InChI
InChI=1S/C16H18N2O3/c19-15-10-13(9-12-5-2-1-3-6-12)17-16(18-15)21-11-14-7-4-8-20-14/h1-3,5-6,10,14H,4,7-9,11H2,(H,17,18,19)
InChIKey
BPEZPQZTTKFJKC-UHFFFAOYSA-N
Compound name
4-benzyl-2-(oxolan-2-ylmethoxy)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.13174 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13902 164.5
[M+Na]+ 309.12096 171.0
[M-H]- 285.12446 170.6
[M+NH4]+ 304.16556 176.6
[M+K]+ 325.09490 167.4
[M+H-H2O]+ 269.12900 155.0
[M+HCOO]- 331.12994 183.2
[M+CH3COO]- 345.14559 175.2
[M+Na-2H]- 307.10641 167.8
[M]+ 286.13119 163.6
[M]- 286.13229 163.6
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.