CID 493500

Cf2200

Structural Information

Molecular Formula
C17H18N2O2
SMILES
CCCCCC1=CC=C(C=C1)C2=CC3=C(O2)NC(=O)N=C3
InChI
InChI=1S/C17H18N2O2/c1-2-3-4-5-12-6-8-13(9-7-12)15-10-14-11-18-17(20)19-16(14)21-15/h6-11H,2-5H2,1H3,(H,18,19,20)
InChIKey
KYLGKLGDMGXSLC-UHFFFAOYSA-N
Compound name
6-(4-pentylphenyl)-1H-furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

282.13684 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14412 165.2
[M+Na]+ 305.12606 175.6
[M-H]- 281.12956 170.2
[M+NH4]+ 300.17066 179.6
[M+K]+ 321.10000 170.4
[M+H-H2O]+ 265.13410 156.7
[M+HCOO]- 327.13504 186.1
[M+CH3COO]- 341.15069 177.3
[M+Na-2H]- 303.11151 170.8
[M]+ 282.13629 169.4
[M]- 282.13739 169.4
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.