CID 511681

3-((2r,4s,5r)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-6-[2-(tetrahydro-pyran-2-yloxy)-ethyl]-3h-uro[2,3]pyrimidin-2-one

Structural Information

Molecular Formula
C18H24N2O7
SMILES
C1CCOC(C1)OCCC2=CC3=CN(C(=O)N=C3O2)[C@H]4C[C@@H]([C@H](O4)CO)O
InChI
InChI=1S/C18H24N2O7/c21-10-14-13(22)8-15(27-14)20-9-11-7-12(26-17(11)19-18(20)23)4-6-25-16-3-1-2-5-24-16/h7,9,13-16,21-22H,1-6,8,10H2/t13-,14+,15+,16?/m0/s1
InChIKey
MTJWUTPWVZHCCC-BZZKYOCZSA-N
Compound name
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[2-(oxan-2-yloxy)ethyl]furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.15836 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.16564 184.1
[M+Na]+ 403.14758 190.3
[M-H]- 379.15108 191.6
[M+NH4]+ 398.19218 192.0
[M+K]+ 419.12152 190.1
[M+H-H2O]+ 363.15562 176.9
[M+HCOO]- 425.15656 196.8
[M+CH3COO]- 439.17221 193.5
[M+Na-2H]- 401.13303 183.4
[M]+ 380.15781 187.2
[M]- 380.15891 187.2
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.