CID 511647

3-((2r,4s,5r)-4-fluoro-5-hydroxymethyl-tetrahydro-furan-2-yl)-6-(5-phenyl-pentyl)-3h-furo[2,3-d]pyrimidin-2-one

Structural Information

Molecular Formula
C22H25FN2O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C3C=C(OC3=NC2=O)CCCCCC4=CC=CC=C4)CO)F
InChI
InChI=1S/C22H25FN2O4/c23-18-12-20(29-19(18)14-26)25-13-16-11-17(28-21(16)24-22(25)27)10-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,11,13,18-20,26H,2,5-6,9-10,12,14H2/t18-,19+,20+/m0/s1
InChIKey
ZJPQMFRXNFNXGF-XUVXKRRUSA-N
Compound name
3-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-(5-phenylpentyl)furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

400.17984 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.18712 194.6
[M+Na]+ 423.16906 203.2
[M-H]- 399.17256 202.0
[M+NH4]+ 418.21366 204.2
[M+K]+ 439.14300 199.1
[M+H-H2O]+ 383.17710 185.2
[M+HCOO]- 445.17804 211.2
[M+CH3COO]- 459.19369 204.3
[M+Na-2H]- 421.15451 193.1
[M]+ 400.17929 199.1
[M]- 400.18039 199.1
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.