CID 15954173

2-(cyclopentoxy)-6-octyl-furo[2,3-d]pyrimidine

Structural Information

Molecular Formula
C19H28N2O2
SMILES
CCCCCCCCC1=CC2=CN=C(N=C2O1)OC3CCCC3
InChI
InChI=1S/C19H28N2O2/c1-2-3-4-5-6-7-12-17-13-15-14-20-19(21-18(15)22-17)23-16-10-8-9-11-16/h13-14,16H,2-12H2,1H3
InChIKey
IAFPFFIWTTYDKZ-UHFFFAOYSA-N
Compound name
2-cyclopentyloxy-6-octylfuro[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.2151 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.222376 177.7
[M+Na]+ 339.204318 184.0
[M-H]- 315.207824 182.6
[M+NH4]+ 334.248923 192.8
[M+K]+ 355.178258 180.8
[M+H-H2O]+ 299.212360 169.0
[M+HCOO]- 361.213301 197.2
[M+CH3COO]- 375.228951 206.5
[M+Na-2H]- 337.189766 178.5
[M]+ 316.21455142 182.6
[M]- 316.21564858 182.6
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.