CID 6473809

E5-styryl-d4u

Structural Information

Molecular Formula
C17H16N2O4
SMILES
C1=CC=C(C=C1)/C=C/C2=CN(C(=O)NC2=O)[C@H]3C=C[C@H](O3)CO
InChI
InChI=1S/C17H16N2O4/c20-11-14-8-9-15(23-14)19-10-13(16(21)18-17(19)22)7-6-12-4-2-1-3-5-12/h1-10,14-15,20H,11H2,(H,18,21,22)/b7-6+/t14-,15+/m0/s1
InChIKey
CYIMUTVPGVSYSO-MFHOCJEASA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-[(E)-2-phenylethenyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.111 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11828 170.8
[M+Na]+ 335.10022 179.7
[M-H]- 311.10372 176.7
[M+NH4]+ 330.14482 181.7
[M+K]+ 351.07416 174.3
[M+H-H2O]+ 295.10826 161.8
[M+HCOO]- 357.10920 189.6
[M+CH3COO]- 371.12485 198.2
[M+Na-2H]- 333.08567 172.7
[M]+ 312.11045 170.7
[M]- 312.11155 170.7
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.