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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09862 164.2
[M+Na]+ 309.08056 171.6
[M-H]- 285.08406 165.1
[M+NH4]+ 304.12516 172.9
[M+K]+ 325.05450 169.6
[M+H-H2O]+ 269.08860 155.9
[M+HCOO]- 331.08954 178.6
[M+CH3COO]- 345.10519 200.3
[M+Na-2H]- 307.06601 164.1
[M]+ 286.09079 159.5
[M]- 286.09189 159.5
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.