CID 511679

3-((2r,4s,5r)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-6-[3-(2-propoxy-ethoxy)-propyl]-3h-uro[2,3]pyrimidin-2-one

Structural Information

Molecular Formula
C19H28N2O7
SMILES
CCCOCCOCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C19H28N2O7/c1-2-5-25-7-8-26-6-3-4-14-9-13-11-21(19(24)20-18(13)27-14)17-10-15(23)16(12-22)28-17/h9,11,15-17,22-23H,2-8,10,12H2,1H3/t15-,16+,17+/m0/s1
InChIKey
CIMPEENZRRTNDU-GVDBMIGSSA-N
Compound name
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[3-(2-propoxyethoxy)propyl]furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

396.18964 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.19692 190.8
[M+Na]+ 419.17886 198.0
[M-H]- 395.18236 194.9
[M+NH4]+ 414.22346 200.2
[M+K]+ 435.15280 196.7
[M+H-H2O]+ 379.18690 183.4
[M+HCOO]- 441.18784 207.1
[M+CH3COO]- 455.20349 216.1
[M+Na-2H]- 417.16431 190.4
[M]+ 396.18909 200.3
[M]- 396.19019 200.3
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.