CID 508035

Schembl5460983

Structural Information

Molecular Formula
C18H26N2O2
SMILES
CCCCCCCC1=CC2=CN(C(=O)N=C2O1)C3CCCC3
InChI
InChI=1S/C18H26N2O2/c1-2-3-4-5-6-11-16-12-14-13-20(15-9-7-8-10-15)18(21)19-17(14)22-16/h12-13,15H,2-11H2,1H3
InChIKey
YHYHBTUONCWYBH-UHFFFAOYSA-N
Compound name
3-cyclopentyl-6-heptylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
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 173.1
[M+Na]+ 325.18865 181.1
[M-H]- 301.19215 178.6
[M+NH4]+ 320.23325 189.1
[M+K]+ 341.16259 177.4
[M+H-H2O]+ 285.19669 165.0
[M+HCOO]- 347.19763 193.1
[M+CH3COO]- 361.21328 204.1
[M+Na-2H]- 323.17410 173.7
[M]+ 302.19888 177.4
[M]- 302.19998 177.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.