CID 508038

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

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CCCCCCC1=CC2=CN(C(=O)N=C2O1)CCC(C)C
InChI
InChI=1S/C17H26N2O2/c1-4-5-6-7-8-15-11-14-12-19(10-9-13(2)3)17(20)18-16(14)21-15/h11-13H,4-10H2,1-3H3
InChIKey
LKDIIKOGHOHMEZ-UHFFFAOYSA-N
Compound name
6-hexyl-3-(3-methylbutyl)furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.19943 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.20671 171.6
[M+Na]+ 313.18865 180.7
[M-H]- 289.19215 174.2
[M+NH4]+ 308.23325 186.8
[M+K]+ 329.16259 177.6
[M+H-H2O]+ 273.19669 163.6
[M+HCOO]- 335.19763 191.5
[M+CH3COO]- 349.21328 205.3
[M+Na-2H]- 311.17410 174.2
[M]+ 290.19888 179.6
[M]- 290.19998 179.6
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.