CID 492054

Chembl141406

Structural Information

Molecular Formula
C14H22N2O3
SMILES
CCCOC1=NC(=CC(=O)N1C)CC2(CCCO2)C
InChI
InChI=1S/C14H22N2O3/c1-4-7-18-13-15-11(9-12(17)16(13)3)10-14(2)6-5-8-19-14/h9H,4-8,10H2,1-3H3
InChIKey
ONUZJNWKUNUVJG-UHFFFAOYSA-N
Compound name
3-methyl-6-[(2-methyloxolan-2-yl)methyl]-2-propoxypyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.16306 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17034 159.6
[M+Na]+ 289.15228 168.0
[M-H]- 265.15578 164.4
[M+NH4]+ 284.19688 176.3
[M+K]+ 305.12622 166.7
[M+H-H2O]+ 249.16032 152.0
[M+HCOO]- 311.16126 179.2
[M+CH3COO]- 325.17691 196.3
[M+Na-2H]- 287.13773 163.0
[M]+ 266.16251 163.4
[M]- 266.16361 163.4
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.