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]+ 411.22783 200.8
[M+Na]+ 433.20977 208.4
[M-H]- 409.21327 209.2
[M+NH4]+ 428.25437 210.0
[M+K]+ 449.18371 204.4
[M+H-H2O]+ 393.21781 192.0
[M+HCOO]- 455.21875 217.7
[M+CH3COO]- 469.23440 210.2
[M+Na-2H]- 431.19522 198.9
[M]+ 410.22000 206.8
[M]- 410.22110 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.