CID 501707

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

Structural Information

Molecular Formula
C21H24N2O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C3C=C(OC3=NC2=O)CCCCC4=CC=CC=C4)CO)O
InChI
InChI=1S/C21H24N2O5/c24-13-18-17(25)11-19(28-18)23-12-15-10-16(27-20(15)22-21(23)26)9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,10,12,17-19,24-25H,4-5,8-9,11,13H2/t17-,18+,19+/m0/s1
InChIKey
BUNVNJIXERAOBD-IPMKNSEASA-N
Compound name
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(4-phenylbutyl)furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.16852 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.17580 189.4
[M+Na]+ 407.15774 197.6
[M-H]- 383.16124 197.1
[M+NH4]+ 402.20234 198.9
[M+K]+ 423.13168 194.2
[M+H-H2O]+ 367.16578 181.3
[M+HCOO]- 429.16672 206.0
[M+CH3COO]- 443.18237 199.4
[M+Na-2H]- 405.14319 189.0
[M]+ 384.16797 194.2
[M]- 384.16907 194.2
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.