CID 5273876

Schembl14430913

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CCCCCCC1=CC2=CN(C(=O)N=C2O1)C
InChI
InChI=1S/C13H18N2O2/c1-3-4-5-6-7-11-8-10-9-15(2)13(16)14-12(10)17-11/h8-9H,3-7H2,1-2H3
InChIKey
KOJJJDKNXFCPOR-UHFFFAOYSA-N
Compound name
6-hexyl-3-methylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

234.13683 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 152.2
[M+Na]+ 257.12605 163.4
[M-H]- 233.12955 155.4
[M+NH4]+ 252.17065 169.8
[M+K]+ 273.09999 160.8
[M+H-H2O]+ 217.13409 144.9
[M+HCOO]- 279.13503 174.5
[M+CH3COO]- 293.15068 192.6
[M+Na-2H]- 255.11150 158.2
[M]+ 234.13628 159.4
[M]- 234.13738 159.4
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.