CID 492047

Chembl53415

Structural Information

Molecular Formula
C20H24N2O3
SMILES
CN1C(=O)C=C(N=C1OC2CCCCC2)CC3(CO3)C4=CC=CC=C4
InChI
InChI=1S/C20H24N2O3/c1-22-18(23)12-16(21-19(22)25-17-10-6-3-7-11-17)13-20(14-24-20)15-8-4-2-5-9-15/h2,4-5,8-9,12,17H,3,6-7,10-11,13-14H2,1H3
InChIKey
IWZXQRPESXOLSH-UHFFFAOYSA-N
Compound name
2-cyclohexyloxy-3-methyl-6-[(2-phenyloxiran-2-yl)methyl]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

340.17868 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.18596 186.0
[M+Na]+ 363.16790 193.7
[M-H]- 339.17140 196.2
[M+NH4]+ 358.21250 192.0
[M+K]+ 379.14184 190.9
[M+H-H2O]+ 323.17594 175.0
[M+HCOO]- 385.17688 202.7
[M+CH3COO]- 399.19253 195.2
[M+Na-2H]- 361.15335 189.3
[M]+ 340.17813 187.6
[M]- 340.17923 187.6
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.