CID 91820181

Cytosyl-4'-oxo-beta-d-glucuronate

Structural Information

Molecular Formula
C10H11N3O7
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H](C(=O)[C@H](O2)C(=O)O)O)O
InChI
InChI=1S/C10H11N3O7/c11-3-1-2-13(10(19)12-3)8-6(16)4(14)5(15)7(20-8)9(17)18/h1-2,4,6-8,14,16H,(H,17,18)(H2,11,12,19)/t4-,6+,7-,8+/m0/s1
InChIKey
MVILQFUTTMAQGD-VXUIKNBNSA-N
Compound name
(2S,4R,5R,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4,5-dihydroxy-3-oxooxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

285.0597 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.06698 160.1
[M+Na]+ 308.04892 168.4
[M-H]- 284.05242 161.5
[M+NH4]+ 303.09352 169.2
[M+K]+ 324.02286 166.8
[M+H-H2O]+ 268.05696 152.1
[M+HCOO]- 330.05790 174.5
[M+CH3COO]- 344.07355 196.8
[M+Na-2H]- 306.03437 160.9
[M]+ 285.05915 157.8
[M]- 285.06025 157.8
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.