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]+ 317.22238 177.7
[M+Na]+ 339.20432 185.2
[M-H]- 315.20782 183.0
[M+NH4]+ 334.24892 193.1
[M+K]+ 355.17826 181.3
[M+H-H2O]+ 299.21236 169.4
[M+HCOO]- 361.21330 197.3
[M+CH3COO]- 375.22895 207.0
[M+Na-2H]- 337.18977 177.7
[M]+ 316.21455 182.3
[M]- 316.21565 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.