CID 6473805

E5-styryl-lyxo-du

Structural Information

Molecular Formula
C17H18N2O5
SMILES
C1[C@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/C3=CC=CC=C3)CO)O
InChI
InChI=1S/C17H18N2O5/c20-10-14-13(21)8-15(24-14)19-9-12(16(22)18-17(19)23)7-6-11-4-2-1-3-5-11/h1-7,9,13-15,20-21H,8,10H2,(H,18,22,23)/b7-6+/t13-,14-,15-/m1/s1
InChIKey
UKZXPKJVLYTWOM-ZQXYTJGRSA-N
Compound name
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-phenylethenyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

330.12158 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.12886 175.4
[M+Na]+ 353.11080 183.4
[M-H]- 329.11430 179.9
[M+NH4]+ 348.15540 184.8
[M+K]+ 369.08474 178.1
[M+H-H2O]+ 313.11884 166.7
[M+HCOO]- 375.11978 191.3
[M+CH3COO]- 389.13543 200.1
[M+Na-2H]- 351.09625 175.3
[M]+ 330.12103 173.9
[M]- 330.12213 173.9
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.