CID 506153

3-[(5s)-5-(hydroxymethyl)oxolan-2-yl]-6-(4-heptylphenyl)-3-hydrofurano[2,3-d]pyrimidin-2-one

Structural Information

Molecular Formula
C24H30N2O4
SMILES
CCCCCCCC1=CC=C(C=C1)C2=CC3=CN(C(=O)N=C3O2)C4CC[C@H](O4)CO
InChI
InChI=1S/C24H30N2O4/c1-2-3-4-5-6-7-17-8-10-18(11-9-17)21-14-19-15-26(24(28)25-23(19)30-21)22-13-12-20(16-27)29-22/h8-11,14-15,20,22,27H,2-7,12-13,16H2,1H3/t20-,22?/m0/s1
InChIKey
MCYBXGSXVVIJFB-AIBWNMTMSA-N
Compound name
6-(4-heptylphenyl)-3-[(5S)-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.22055 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.227826 200.8
[M+Na]+ 433.209768 208.4
[M-H]- 409.213274 209.2
[M+NH4]+ 428.254373 210.0
[M+K]+ 449.183708 204.4
[M+H-H2O]+ 393.217810 192.0
[M+HCOO]- 455.218751 217.7
[M+CH3COO]- 469.234401 210.2
[M+Na-2H]- 431.195216 198.9
[M]+ 410.22000142 206.8
[M]- 410.22109858 206.8
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.