CID 506152

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

Structural Information

Molecular Formula
C23H28N2O4
SMILES
CCCCCCC1=CC=C(C=C1)C2=CC3=CN(C(=O)N=C3O2)C4CC[C@H](O4)CO
InChI
InChI=1S/C23H28N2O4/c1-2-3-4-5-6-16-7-9-17(10-8-16)20-13-18-14-25(23(27)24-22(18)29-20)21-12-11-19(15-26)28-21/h7-10,13-14,19,21,26H,2-6,11-12,15H2,1H3/t19-,21?/m0/s1
InChIKey
DUZRARMZXSACKK-ZQRQZVKFSA-N
Compound name
6-(4-hexylphenyl)-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

396.2049 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.21218 196.3
[M+Na]+ 419.19412 204.3
[M-H]- 395.19762 204.9
[M+NH4]+ 414.23872 206.1
[M+K]+ 435.16806 200.5
[M+H-H2O]+ 379.20216 187.7
[M+HCOO]- 441.20310 213.5
[M+CH3COO]- 455.21875 206.1
[M+Na-2H]- 417.17957 194.9
[M]+ 396.20435 202.0
[M]- 396.20545 202.0
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.