CID 15955926

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

Structural Information

Molecular Formula
C20H30N2O2
SMILES
CCCCCCCCCC1=CC2=CN(C(=O)N=C2O1)C3CCCC3
InChI
InChI=1S/C20H30N2O2/c1-2-3-4-5-6-7-8-13-18-14-16-15-22(17-11-9-10-12-17)20(23)21-19(16)24-18/h14-15,17H,2-13H2,1H3
InChIKey
CQDDSDPYEKGUII-UHFFFAOYSA-N
Compound name
3-cyclopentyl-6-nonylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.23074 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.23802 182.3
[M+Na]+ 353.21996 189.4
[M-H]- 329.22346 187.4
[M+NH4]+ 348.26456 197.1
[M+K]+ 369.19390 185.2
[M+H-H2O]+ 313.22800 173.8
[M+HCOO]- 375.22894 201.5
[M+CH3COO]- 389.24459 210.0
[M+Na-2H]- 351.20541 181.8
[M]+ 330.23019 187.2
[M]- 330.23129 187.2
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.