CID 511676

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

Structural Information

Molecular Formula
C20H30N2O6
SMILES
CCCCCCOCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C20H30N2O6/c1-2-3-4-5-8-26-9-6-7-15-10-14-12-22(20(25)21-19(14)27-15)18-11-16(24)17(13-23)28-18/h10,12,16-18,23-24H,2-9,11,13H2,1H3/t16-,17+,18+/m0/s1
InChIKey
YQGMNXMTFARUCC-RCCFBDPRSA-N
Compound name
6-(3-hexoxypropyl)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

394.2104 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.21768 193.7
[M+Na]+ 417.19962 200.7
[M-H]- 393.20312 197.6
[M+NH4]+ 412.24422 203.3
[M+K]+ 433.17356 198.5
[M+H-H2O]+ 377.20766 186.3
[M+HCOO]- 439.20860 209.5
[M+CH3COO]- 453.22425 216.7
[M+Na-2H]- 415.18507 192.4
[M]+ 394.20985 202.1
[M]- 394.21095 202.1
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.