CID 5273865

Schembl5460105

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CCCCCN1C=C2C=C(OC2=NC1=O)CCCC
InChI
InChI=1S/C15H22N2O2/c1-3-5-7-9-17-11-12-10-13(8-6-4-2)19-14(12)16-15(17)18/h10-11H,3-9H2,1-2H3
InChIKey
ZBULMROJFUBMMV-UHFFFAOYSA-N
Compound name
6-butyl-3-pentylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

262.16812 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 161.7
[M+Na]+ 285.15734 172.0
[M-H]- 261.16084 164.5
[M+NH4]+ 280.20194 178.1
[M+K]+ 301.13128 168.9
[M+H-H2O]+ 245.16538 154.0
[M+HCOO]- 307.16632 183.3
[M+CH3COO]- 321.18197 198.5
[M+Na-2H]- 283.14279 166.6
[M]+ 262.16757 169.6
[M]- 262.16867 169.6
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.