CID 91819920

Cytosyl-4'-amino-beta-d-glucuronate

Structural Information

Molecular Formula

C₁₀H₁₄N₄O₆

SMILES

C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)N)O)O

InChI

InChI=1S/C10H14N4O6/c11-3-1-2-14(10(19)13-3)8-6(16)5(15)4(12)7(20-8)9(17)18/h1-2,4-8,15-16H,12H2,(H,17,18)(H2,11,13,19)/t4-,5-,6+,7-,8+/m0/s1

InChIKey

LEKPBXWCFPKWSL-YOWKYNACSA-N

Compound name

(2S,3S,4S,5R,6R)-3-amino-6-(4-amino-2-oxopyrimidin-1-yl)-4,5-dihydroxyoxane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 0
Patents: 286.09134 Da
Monoisotopic Mass: -4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	287.098616	164.2
[M+Na]+	309.080558	171.6
[M-H]-	285.084064	165.1
[M+NH4]+	304.125163	172.9
[M+K]+	325.054498	169.6
[M+H-H2O]+	269.088600	155.9
[M+HCOO]-	331.089541	178.6
[M+CH3COO]-	345.105191	200.3
[M+Na-2H]-	307.066006	164.1
[M]+	286.09079142	159.5
[M]-	286.09188858	159.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.