CID 492048

Chembl54963

Structural Information

Molecular Formula
C16H24N2O3
SMILES
CC1C(O1)(C)CC2=CC(=O)N(C(=N2)OC3CCCCC3)C
InChI
InChI=1S/C16H24N2O3/c1-11-16(2,21-11)10-12-9-14(19)18(3)15(17-12)20-13-7-5-4-6-8-13/h9,11,13H,4-8,10H2,1-3H3
InChIKey
NCQTWYYWBHWKPQ-UHFFFAOYSA-N
Compound name
2-cyclohexyloxy-6-[(2,3-dimethyloxiran-2-yl)methyl]-3-methylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

292.17868 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.18596 175.0
[M+Na]+ 315.16790 184.2
[M-H]- 291.17140 183.1
[M+NH4]+ 310.21250 184.0
[M+K]+ 331.14184 182.1
[M+H-H2O]+ 275.17594 166.0
[M+HCOO]- 337.17688 191.6
[M+CH3COO]- 351.19253 205.0
[M+Na-2H]- 313.15335 177.6
[M]+ 292.17813 178.6
[M]- 292.17923 178.6
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.