CID 508053

2-(cyclohexoxy)-6-hexyl-furo[2,3-d]pyrimidine

Structural Information

Molecular Formula
C18H26N2O2
SMILES
CCCCCCC1=CC2=CN=C(N=C2O1)OC3CCCCC3
InChI
InChI=1S/C18H26N2O2/c1-2-3-4-6-11-16-12-14-13-19-18(20-17(14)21-16)22-15-9-7-5-8-10-15/h12-13,15H,2-11H2,1H3
InChIKey
WTXLNFJGWJTMPS-UHFFFAOYSA-N
Compound name
2-cyclohexyloxy-6-hexylfuro[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.19943 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.20671 173.3
[M+Na]+ 325.18865 179.2
[M-H]- 301.19215 177.7
[M+NH4]+ 320.23325 186.9
[M+K]+ 341.16259 175.9
[M+H-H2O]+ 285.19669 163.7
[M+HCOO]- 347.19763 190.7
[M+CH3COO]- 361.21328 203.8
[M+Na-2H]- 323.17410 176.3
[M]+ 302.19888 175.5
[M]- 302.19998 175.5
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.