CID 493499

Cf1381

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CCCCCCCCC1=CC2=C(O1)NC(=O)N=C2
InChI
InChI=1S/C14H20N2O2/c1-2-3-4-5-6-7-8-12-9-11-10-15-14(17)16-13(11)18-12/h9-10H,2-8H2,1H3,(H,15,16,17)
InChIKey
QSJZVAZRTPZMEQ-UHFFFAOYSA-N
Compound name
6-octyl-1H-furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

248.15248 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 157.3
[M+Na]+ 271.14170 166.7
[M-H]- 247.14520 158.5
[M+NH4]+ 266.18630 173.3
[M+K]+ 287.11564 162.9
[M+H-H2O]+ 231.14974 149.8
[M+HCOO]- 293.15068 177.8
[M+CH3COO]- 307.16633 191.8
[M+Na-2H]- 269.12715 163.0
[M]+ 248.15193 162.7
[M]- 248.15303 162.7
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.