CID 135483740

6-benzyl-2-isopropylpyrimidin-4-one

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CC(C)OC1=NC(=CC(=O)N1)CC2=CC=CC=C2
InChI
InChI=1S/C14H16N2O2/c1-10(2)18-14-15-12(9-13(17)16-14)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,15,16,17)
InChIKey
YYWSPERIIMFFKH-UHFFFAOYSA-N
Compound name
4-benzyl-2-propan-2-yloxy-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

244.12119 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 155.2
[M+Na]+ 267.11041 163.1
[M-H]- 243.11391 158.0
[M+NH4]+ 262.15501 169.1
[M+K]+ 283.08435 158.9
[M+H-H2O]+ 227.11845 146.4
[M+HCOO]- 289.11939 175.0
[M+CH3COO]- 303.13504 191.3
[M+Na-2H]- 265.09586 160.2
[M]+ 244.12064 155.7
[M]- 244.12174 155.7
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.