CID 508041

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

Structural Information

Molecular Formula
C18H26N2O2
SMILES
CCCCCCC1=CC2=CN(C(=O)N=C2O1)C3CCCCC3
InChI
InChI=1S/C18H26N2O2/c1-2-3-4-8-11-16-12-14-13-20(15-9-6-5-7-10-15)18(21)19-17(14)22-16/h12-13,15H,2-11H2,1H3
InChIKey
VGXTYIIFIDLJHR-UHFFFAOYSA-N
Compound name
3-cyclohexyl-6-hexylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.19943 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.20671 173.2
[M+Na]+ 325.18865 180.4
[M-H]- 301.19215 178.1
[M+NH4]+ 320.23325 187.2
[M+K]+ 341.16259 176.4
[M+H-H2O]+ 285.19669 164.0
[M+HCOO]- 347.19763 190.8
[M+CH3COO]- 361.21328 204.4
[M+Na-2H]- 323.17410 175.5
[M]+ 302.19888 175.1
[M]- 302.19998 175.1
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.