CID 508036

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

Structural Information

Molecular Formula
C19H28N2O2
SMILES
CCCCCCCCC1=CC2=CN(C(=O)N=C2O1)C3CCCC3
InChI
InChI=1S/C19H28N2O2/c1-2-3-4-5-6-7-12-17-13-15-14-21(16-10-8-9-11-16)19(22)20-18(15)23-17/h13-14,16H,2-12H2,1H3
InChIKey
FYEYBHGJUKMZER-UHFFFAOYSA-N
Compound name
3-cyclopentyl-6-octylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.2151 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.222376 177.7
[M+Na]+ 339.204318 185.2
[M-H]- 315.207824 183.0
[M+NH4]+ 334.248923 193.1
[M+K]+ 355.178258 181.3
[M+H-H2O]+ 299.212360 169.4
[M+HCOO]- 361.213301 197.3
[M+CH3COO]- 375.228951 207.0
[M+Na-2H]- 337.189766 177.7
[M]+ 316.21455142 182.3
[M]- 316.21564858 182.3
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.