CID 102272554

5'-c-glycyl uridine

Structural Information

Molecular Formula
C11H15N3O8
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)[C@H]([C@@H](C(=O)O)N)O)O)O
InChI
InChI=1S/C11H15N3O8/c12-4(10(19)20)5(16)8-6(17)7(18)9(22-8)14-2-1-3(15)13-11(14)21/h1-2,4-9,16-18H,12H2,(H,19,20)(H,13,15,21)/t4-,5-,6-,7+,8+,9+/m0/s1
InChIKey
WWVQJTLJSQSIQJ-ZQBLYPSISA-N
Compound name
(2S,3S)-2-amino-3-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.0859 Da
Monoisotopic Mass

-5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.09318 165.9
[M+Na]+ 340.07512 171.5
[M-H]- 316.07862 164.7
[M+NH4]+ 335.11972 173.6
[M+K]+ 356.04906 170.3
[M+H-H2O]+ 300.08316 158.8
[M+HCOO]- 362.08410 177.3
[M+CH3COO]- 376.09975 198.5
[M+Na-2H]- 338.06057 162.6
[M]+ 317.08535 162.2
[M]- 317.08645 162.2
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.