CID 15955933

6-butyl-2-(1-methylbutoxy)furo[2,3-d]pyrimidine

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CCCCC1=CC2=CN=C(N=C2O1)OC(C)CCC
InChI
InChI=1S/C15H22N2O2/c1-4-6-8-13-9-12-10-16-15(17-14(12)19-13)18-11(3)7-5-2/h9-11H,4-8H2,1-3H3
InChIKey
CUYIHYJYOVUNGI-UHFFFAOYSA-N
Compound name
6-butyl-2-pentan-2-yloxyfuro[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.16812 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 163.0
[M+Na]+ 285.15734 171.8
[M-H]- 261.16084 165.5
[M+NH4]+ 280.20194 179.1
[M+K]+ 301.13128 169.8
[M+H-H2O]+ 245.16538 155.1
[M+HCOO]- 307.16632 183.5
[M+CH3COO]- 321.18197 198.9
[M+Na-2H]- 283.14279 167.4
[M]+ 262.16757 170.6
[M]- 262.16867 170.6
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.