CID 466663

2-[4-[2-[[(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]-2-oxo-ethyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid

Structural Information

Molecular Formula
C17H18N2O10
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COC(=O)CC3(C(=O)OCO3)CC(=O)O
InChI
InChI=1S/C17H18N2O10/c1-9-6-19(16(25)18-14(9)23)11-3-2-10(29-11)7-26-13(22)5-17(4-12(20)21)15(24)27-8-28-17/h2-3,6,10-11H,4-5,7-8H2,1H3,(H,20,21)(H,18,23,25)/t10-,11+,17?/m0/s1
InChIKey
RFYXRHGCAAWGTH-IYXXQPPLSA-N
Compound name
2-[4-[2-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]-2-oxoethyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.09613 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.10341 183.5
[M+Na]+ 433.08535 190.3
[M-H]- 409.08885 191.0
[M+NH4]+ 428.12995 190.7
[M+K]+ 449.05929 192.1
[M+H-H2O]+ 393.09339 177.8
[M+HCOO]- 455.09433 197.5
[M+CH3COO]- 469.10998 215.9
[M+Na-2H]- 431.07080 182.7
[M]+ 410.09558 189.6
[M]- 410.09668 189.6
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.