CID 5274009

1-[(2r,5s)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-[(1e)-3-methylbuta-1,3-dienyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C14H18N2O4
SMILES
CC(=C)/C=C/C1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO
InChI
InChI=1S/C14H18N2O4/c1-9(2)3-4-10-7-16(14(19)15-13(10)18)12-6-5-11(8-17)20-12/h3-4,7,11-12,17H,1,5-6,8H2,2H3,(H,15,18,19)/b4-3+/t11-,12+/m0/s1
InChIKey
UKZMMHVLHYWDLQ-HEKLCECKSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-[(1E)-3-methylbuta-1,3-dienyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.12665 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13393 163.3
[M+Na]+ 301.11587 171.2
[M-H]- 277.11937 165.6
[M+NH4]+ 296.16047 175.9
[M+K]+ 317.08981 167.1
[M+H-H2O]+ 261.12391 155.9
[M+HCOO]- 323.12485 179.5
[M+CH3COO]- 337.14050 193.6
[M+Na-2H]- 299.10132 162.6
[M]+ 278.12610 162.0
[M]- 278.12720 162.0
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.