CID 5273879

Schembl14430915

Structural Information

Molecular Formula
C19H22N2O2
SMILES
CCCCCCC1=CC2=CN(C(=O)N=C2O1)CC3=CC=CC=C3
InChI
InChI=1S/C19H22N2O2/c1-2-3-4-8-11-17-12-16-14-21(19(22)20-18(16)23-17)13-15-9-6-5-7-10-15/h5-7,9-10,12,14H,2-4,8,11,13H2,1H3
InChIKey
QTPYXTWBUXRKBN-UHFFFAOYSA-N
Compound name
3-benzyl-6-hexylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

310.16812 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17540 174.4
[M+Na]+ 333.15734 184.2
[M-H]- 309.16084 180.3
[M+NH4]+ 328.20194 188.3
[M+K]+ 349.13128 179.5
[M+H-H2O]+ 293.16538 165.1
[M+HCOO]- 355.16632 196.0
[M+CH3COO]- 369.18197 186.2
[M+Na-2H]- 331.14279 179.1
[M]+ 310.16757 180.9
[M]- 310.16867 180.9
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.