CID 5273863

Schembl5451435

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

262.16812 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 162.1
[M+Na]+ 285.15734 172.1
[M-H]- 261.16084 165.1
[M+NH4]+ 280.20194 178.5
[M+K]+ 301.13128 169.5
[M+H-H2O]+ 245.16538 154.6
[M+HCOO]- 307.16632 182.8
[M+CH3COO]- 321.18197 199.4
[M+Na-2H]- 283.14279 165.8
[M]+ 262.16757 169.4
[M]- 262.16867 169.4
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

patents stripe