CID 6473808

E5-styryl-ddu

Structural Information

Molecular Formula
C17H18N2O4
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=C(C(=O)NC2=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C17H18N2O4/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/h1-7,10,14-15,20H,8-9,11H2,(H,18,21,22)/b7-6+/t14-,15+/m0/s1
InChIKey
DSQMLOCCGLKKKF-MFHOCJEASA-N
Compound name
1-[(2R,5S)-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

0
Patents

314.12665 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13393 172.0
[M+Na]+ 337.11587 179.9
[M-H]- 313.11937 177.5
[M+NH4]+ 332.16047 182.7
[M+K]+ 353.08981 174.6
[M+H-H2O]+ 297.12391 163.0
[M+HCOO]- 359.12485 189.3
[M+CH3COO]- 373.14050 198.6
[M+Na-2H]- 335.10132 173.0
[M]+ 314.12610 170.5
[M]- 314.12720 170.5
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.