CID 16728573

[(2s,5r)-5-(2,4-dioxopyrimidin-1-yl)-3-phenyl-2,5-dihydrofuran-2-yl]methyl acetate

Structural Information

Molecular Formula
C17H16N2O5
SMILES
CC(=O)OC[C@@H]1C(=C[C@@H](O1)N2C=CC(=O)NC2=O)C3=CC=CC=C3
InChI
InChI=1S/C17H16N2O5/c1-11(20)23-10-14-13(12-5-3-2-4-6-12)9-16(24-14)19-8-7-15(21)18-17(19)22/h2-9,14,16H,10H2,1H3,(H,18,21,22)/t14-,16-/m1/s1
InChIKey
CIJIFRQLLUJQFP-GDBMZVCRSA-N
Compound name
[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-phenyl-2,5-dihydrofuran-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.10593 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.113206 172.7
[M+Na]+ 351.095148 181.5
[M-H]- 327.098654 180.1
[M+NH4]+ 346.139753 183.4
[M+K]+ 367.069088 178.2
[M+H-H2O]+ 311.103190 163.5
[M+HCOO]- 373.104131 192.2
[M+CH3COO]- 387.119781 203.6
[M+Na-2H]- 349.080596 174.1
[M]+ 328.10538142 175.2
[M]- 328.10647858 175.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.