CID 508045

Schembl5459302

Structural Information

Molecular Formula
C15H20N2O2
SMILES
CCCCC1=CC2=CN=C(N=C2O1)OC3CCCC3
InChI
InChI=1S/C15H20N2O2/c1-2-3-6-13-9-11-10-16-15(17-14(11)18-13)19-12-7-4-5-8-12/h9-10,12H,2-8H2,1H3
InChIKey
WCLNHKABKIPQTG-UHFFFAOYSA-N
Compound name
6-butyl-2-cyclopentyloxyfuro[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

260.15247 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.15975 159.2
[M+Na]+ 283.14169 167.4
[M-H]- 259.14519 164.9
[M+NH4]+ 278.18629 176.7
[M+K]+ 299.11563 165.1
[M+H-H2O]+ 243.14973 151.4
[M+HCOO]- 305.15067 180.1
[M+CH3COO]- 319.16632 171.6
[M+Na-2H]- 281.12714 162.2
[M]+ 260.15192 162.9
[M]- 260.15302 162.9
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.