CID 15954174

6-hexyl-2-tetrahydrofuran-2-yloxy-furo[2,3-d]pyrimidine

Structural Information

Molecular Formula
C16H22N2O3
SMILES
CCCCCCC1=CC2=CN=C(N=C2O1)OC3CCCO3
InChI
InChI=1S/C16H22N2O3/c1-2-3-4-5-7-13-10-12-11-17-16(18-15(12)20-13)21-14-8-6-9-19-14/h10-11,14H,2-9H2,1H3
InChIKey
JHJDSQJJDFFIMX-UHFFFAOYSA-N
Compound name
6-hexyl-2-(oxolan-2-yloxy)furo[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.16306 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.17034 166.9
[M+Na]+ 313.15228 174.6
[M-H]- 289.15578 172.9
[M+NH4]+ 308.19688 181.7
[M+K]+ 329.12622 173.5
[M+H-H2O]+ 273.16032 159.1
[M+HCOO]- 335.16126 186.6
[M+CH3COO]- 349.17691 178.7
[M+Na-2H]- 311.13773 169.9
[M]+ 290.16251 172.8
[M]- 290.16361 172.8
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.