CID 493483

Cf1836

Structural Information

Molecular Formula
C19H20N2O5
SMILES
CCC1=CC=C(C=C1)C2=CC3=CN(C(=O)N=C3O2)[C@H]4C[C@@H]([C@H](O4)CO)O
InChI
InChI=1S/C19H20N2O5/c1-2-11-3-5-12(6-4-11)15-7-13-9-21(19(24)20-18(13)26-15)17-8-14(23)16(10-22)25-17/h3-7,9,14,16-17,22-23H,2,8,10H2,1H3/t14-,16+,17+/m0/s1
InChIKey
DHPMRZDLVQGMJR-USXIJHARSA-N
Compound name
6-(4-ethylphenyl)-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

6
References

0
Patents

356.1372 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.14448 181.3
[M+Na]+ 379.12642 191.4
[M-H]- 355.12992 189.8
[M+NH4]+ 374.17102 192.3
[M+K]+ 395.10036 188.4
[M+H-H2O]+ 339.13446 173.9
[M+HCOO]- 401.13540 198.6
[M+CH3COO]- 415.15105 192.5
[M+Na-2H]- 377.11187 181.2
[M]+ 356.13665 186.0
[M]- 356.13775 186.0
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.