CID 5272896

3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-nonyl-4,4a-dihydrofuro[2,3-d]pyrimidin-2-one

Structural Information

Molecular Formula
C20H32N2O5
SMILES
CCCCCCCCCC1=CC2CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C20H32N2O5/c1-2-3-4-5-6-7-8-9-15-10-14-12-22(20(25)21-19(14)26-15)18-11-16(24)17(13-23)27-18/h10,14,16-18,23-24H,2-9,11-13H2,1H3/t14?,16-,17+,18+/m0/s1
InChIKey
UDBUGJPDJDTUCE-FPGJRIRASA-N
Compound name
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-nonyl-4,4a-dihydrofuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.2311 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.23838 194.8
[M+Na]+ 403.22032 199.2
[M-H]- 379.22382 197.4
[M+NH4]+ 398.26492 204.7
[M+K]+ 419.19426 196.7
[M+H-H2O]+ 363.22836 187.7
[M+HCOO]- 425.22930 206.1
[M+CH3COO]- 439.24495 215.5
[M+Na-2H]- 401.20577 190.6
[M]+ 380.23055 197.6
[M]- 380.23165 197.6
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.