CID 167956

21027-33-8

Structural Information

Molecular Formula
C11H15N3O8
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)[C@@H](C(=O)O)N)O)O)CO
InChI
InChI=1S/C11H15N3O8/c12-4(10(19)20)7-5(16)6(17)9(22-7)14-1-3(2-15)8(18)13-11(14)21/h1,4-7,9,15-17H,2,12H2,(H,19,20)(H,13,18,21)/t4-,5-,6+,7+,9+/m0/s1
InChIKey
TZQKKPBFBDTCRN-AJDRIWCOSA-N
Compound name
(2S)-2-amino-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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 168.4
[M+Na]+ 340.07512 174.1
[M+NH4]+ 335.11972 168.9
[M+K]+ 356.04906 178.1
[M-H]- 316.07862 165.5
[M+Na-2H]- 338.06057 165.8
[M]+ 317.08535 167.3
[M]- 317.08645 167.3
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.