CID 492060

Chembl343043

Structural Information

Molecular Formula
C14H22N2O3
SMILES
CCCOC1=NC(=CC(=N1)OC)CC2(CCCO2)C
InChI
InChI=1S/C14H22N2O3/c1-4-7-18-13-15-11(9-12(16-13)17-3)10-14(2)6-5-8-19-14/h9H,4-8,10H2,1-3H3
InChIKey
DUGXFBFPIUANRF-UHFFFAOYSA-N
Compound name
4-methoxy-6-[(2-methyloxolan-2-yl)methyl]-2-propoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.16306 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17034 160.7
[M+Na]+ 289.15228 167.9
[M-H]- 265.15578 165.1
[M+NH4]+ 284.19688 177.1
[M+K]+ 305.12622 167.2
[M+H-H2O]+ 249.16032 152.7
[M+HCOO]- 311.16126 180.1
[M+CH3COO]- 325.17691 195.8
[M+Na-2H]- 287.13773 164.8
[M]+ 266.16251 164.7
[M]- 266.16361 164.7
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.