CID 508034

3-cyclopentyl-6-hexyl-furo[2,3-d]pyrimidin-2-one

Structural Information

Molecular Formula
C17H24N2O2
SMILES
CCCCCCC1=CC2=CN(C(=O)N=C2O1)C3CCCC3
InChI
InChI=1S/C17H24N2O2/c1-2-3-4-5-10-15-11-13-12-19(14-8-6-7-9-14)17(20)18-16(13)21-15/h11-12,14H,2-10H2,1H3
InChIKey
FJRRDKBZNBFSPD-UHFFFAOYSA-N
Compound name
3-cyclopentyl-6-hexylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.18378 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.19106 168.5
[M+Na]+ 311.17300 176.9
[M-H]- 287.17650 174.2
[M+NH4]+ 306.21760 185.0
[M+K]+ 327.14694 173.5
[M+H-H2O]+ 271.18104 160.6
[M+HCOO]- 333.18198 188.8
[M+CH3COO]- 347.19763 201.1
[M+Na-2H]- 309.15845 169.6
[M]+ 288.18323 172.5
[M]- 288.18433 172.5
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.