CID 3007812

3-[(2r,5s)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-tetradecyl-furo[2,3-d]pyrimidin-2-one

Structural Information

Molecular Formula
C25H40N2O4
SMILES
CCCCCCCCCCCCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3CC[C@H](O3)CO
InChI
InChI=1S/C25H40N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-17-20-18-27(25(29)26-24(20)31-21)23-16-15-22(19-28)30-23/h17-18,22-23,28H,2-16,19H2,1H3/t22-,23+/m0/s1
InChIKey
LKAGNSXAKDKKSW-XZOQPEGZSA-N
Compound name
3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6-tetradecylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

432.2988 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.30608 211.3
[M+Na]+ 455.28802 216.2
[M-H]- 431.29152 215.1
[M+NH4]+ 450.33262 219.9
[M+K]+ 471.26196 212.3
[M+H-H2O]+ 415.29606 202.6
[M+HCOO]- 477.29700 226.6
[M+CH3COO]- 491.31265 227.7
[M+Na-2H]- 453.27347 207.9
[M]+ 432.29825 219.9
[M]- 432.29935 219.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.