CID 513048

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

Structural Information

Molecular Formula
C21H24N2O6
SMILES
CC1=CC=C(C=C1)OCCCC2=CC3=CN(C(=O)N=C3O2)[C@H]4C[C@@H]([C@H](O4)CO)O
InChI
InChI=1S/C21H24N2O6/c1-13-4-6-15(7-5-13)27-8-2-3-16-9-14-11-23(21(26)22-20(14)28-16)19-10-17(25)18(12-24)29-19/h4-7,9,11,17-19,24-25H,2-3,8,10,12H2,1H3/t17-,18+,19+/m0/s1
InChIKey
BMFCAYQOLHJYBK-IPMKNSEASA-N
Compound name
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[3-(4-methylphenoxy)propyl]furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

400.16342 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.17070 192.3
[M+Na]+ 423.15264 201.1
[M-H]- 399.15614 200.5
[M+NH4]+ 418.19724 201.4
[M+K]+ 439.12658 198.5
[M+H-H2O]+ 383.16068 184.5
[M+HCOO]- 445.16162 209.1
[M+CH3COO]- 459.17727 202.5
[M+Na-2H]- 421.13809 191.6
[M]+ 400.16287 199.0
[M]- 400.16397 199.0
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.