CID 5273892

Schembl14430914

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CCCCCCC1=CC2=CN=C(N=C2O1)OCCCC
InChI
InChI=1S/C16H24N2O2/c1-3-5-7-8-9-14-11-13-12-17-16(18-15(13)20-14)19-10-6-4-2/h11-12H,3-10H2,1-2H3
InChIKey
UKZNENNGHKJCCI-UHFFFAOYSA-N
Compound name
2-butoxy-6-hexylfuro[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

276.18378 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 167.0
[M+Na]+ 299.17300 175.6
[M-H]- 275.17650 169.2
[M+NH4]+ 294.21760 182.6
[M+K]+ 315.14694 172.9
[M+H-H2O]+ 259.18104 158.7
[M+HCOO]- 321.18198 188.1
[M+CH3COO]- 335.19763 201.0
[M+Na-2H]- 297.15845 172.1
[M]+ 276.18323 175.5
[M]- 276.18433 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.