CID 75905627

(2s,3s,6r)-3-amino-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2h-pyran-2-carboxylic acid

Structural Information

Molecular Formula
C10H12N4O4
SMILES
C1=C[C@@H](O[C@@H]([C@H]1N)C(=O)O)N2C=CC(=NC2=O)N
InChI
InChI=1S/C10H12N4O4/c11-5-1-2-7(18-8(5)9(15)16)14-4-3-6(12)13-10(14)17/h1-5,7-8H,11H2,(H,15,16)(H2,12,13,17)/t5-,7+,8-/m0/s1
InChIKey
BCIARWGCSQRQRH-ARDNSNSESA-N
Compound name
(2S,3S,6R)-3-amino-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

10
Patents

252.08586 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09314 154.6
[M+Na]+ 275.07508 164.9
[M+NH4]+ 270.11968 159.2
[M+K]+ 291.04902 162.5
[M-H]- 251.07858 157.1
[M+Na-2H]- 273.06053 158.4
[M]+ 252.08531 156.2
[M]- 252.08641 156.2
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

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