CID 508043

6-hexyl-3-tetrahydrofuran-2-yl-furo[2,3-d]pyrimidin-2-one

Structural Information

Molecular Formula
C16H22N2O3
SMILES
CCCCCCC1=CC2=CN(C(=O)N=C2O1)C3CCCO3
InChI
InChI=1S/C16H22N2O3/c1-2-3-4-5-7-13-10-12-11-18(14-8-6-9-20-14)16(19)17-15(12)21-13/h10-11,14H,2-9H2,1H3
InChIKey
KTKNRZMFWJVQSY-UHFFFAOYSA-N
Compound name
6-hexyl-3-(oxolan-2-yl)furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.16306 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.17034 167.0
[M+Na]+ 313.15228 176.0
[M-H]- 289.15578 173.5
[M+NH4]+ 308.19688 182.1
[M+K]+ 329.12622 174.2
[M+H-H2O]+ 273.16032 159.7
[M+HCOO]- 335.16126 186.9
[M+CH3COO]- 349.17691 200.5
[M+Na-2H]- 311.13773 169.3
[M]+ 290.16251 172.7
[M]- 290.16361 172.7
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.