CID 135434796

4-benzyl-2-(2,5-dimethylcyclohexoxy)-1h-pyrimidin-6-one

Structural Information

Molecular Formula
C19H24N2O2
SMILES
CC1CCC(C(C1)OC2=NC(=CC(=O)N2)CC3=CC=CC=C3)C
InChI
InChI=1S/C19H24N2O2/c1-13-8-9-14(2)17(10-13)23-19-20-16(12-18(22)21-19)11-15-6-4-3-5-7-15/h3-7,12-14,17H,8-11H2,1-2H3,(H,20,21,22)
InChIKey
KEWXBNHPQUMIBJ-UHFFFAOYSA-N
Compound name
4-benzyl-2-(2,5-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.18378 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.19106 176.5
[M+Na]+ 335.17300 182.5
[M-H]- 311.17650 181.5
[M+NH4]+ 330.21760 187.4
[M+K]+ 351.14694 176.6
[M+H-H2O]+ 295.18104 166.0
[M+HCOO]- 357.18198 192.4
[M+CH3COO]- 371.19763 204.9
[M+Na-2H]- 333.15845 177.9
[M]+ 312.18323 173.1
[M]- 312.18433 173.1
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.