CID 135483750

6-benzyl-5-methyl-2-isopropoxypyrimidin-4-one

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CC1=C(N=C(NC1=O)OC(C)C)CC2=CC=CC=C2
InChI
InChI=1S/C15H18N2O2/c1-10(2)19-15-16-13(11(3)14(18)17-15)9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,16,17,18)
InChIKey
PCWWEGIIQCGUCZ-UHFFFAOYSA-N
Compound name
4-benzyl-5-methyl-2-propan-2-yloxy-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.13684 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.144116 159.6
[M+Na]+ 281.126058 168.1
[M-H]- 257.129564 162.7
[M+NH4]+ 276.170663 173.3
[M+K]+ 297.099998 163.6
[M+H-H2O]+ 241.134100 150.9
[M+HCOO]- 303.135041 179.1
[M+CH3COO]- 317.150691 195.5
[M+Na-2H]- 279.111506 163.4
[M]+ 258.13629142 160.9
[M]- 258.13738858 160.9
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.