CID 5274006

1-[(2r,5s)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-[(e)-2-(4-methoxyphenyl)vinyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C18H20N2O5
SMILES
COC1=CC=C(C=C1)/C=C/C2=CN(C(=O)NC2=O)[C@H]3CC[C@H](O3)CO
InChI
InChI=1S/C18H20N2O5/c1-24-14-6-3-12(4-7-14)2-5-13-10-20(18(23)19-17(13)22)16-9-8-15(11-21)25-16/h2-7,10,15-16,21H,8-9,11H2,1H3,(H,19,22,23)/b5-2+/t15-,16+/m0/s1
InChIKey
ADWGWPQCKVLMQT-ILUPXTIESA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.1372 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.14448 179.2
[M+Na]+ 367.12642 187.3
[M-H]- 343.12992 184.9
[M+NH4]+ 362.17102 188.8
[M+K]+ 383.10036 182.6
[M+H-H2O]+ 327.13446 170.1
[M+HCOO]- 389.13540 196.3
[M+CH3COO]- 403.15105 205.2
[M+Na-2H]- 365.11187 179.1
[M]+ 344.13665 179.9
[M]- 344.13775 179.9
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.