CID 191536

Cytosyl-beta-d-glucuronate

Structural Information

Molecular Formula
C10H13N3O7
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI
InChI=1S/C10H13N3O7/c11-3-1-2-13(10(19)12-3)8-6(16)4(14)5(15)7(20-8)9(17)18/h1-2,4-8,14-16H,(H,17,18)(H2,11,12,19)/t4-,5-,6+,7-,8+/m0/s1
InChIKey
CHKIQPXDGYGCHW-YOWKYNACSA-N
Compound name
(2S,3S,4S,5R,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1
Patents

287.07535 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08263 162.1
[M+Na]+ 310.06457 169.6
[M-H]- 286.06807 162.1
[M+NH4]+ 305.10917 170.5
[M+K]+ 326.03851 167.9
[M+H-H2O]+ 270.07261 154.2
[M+HCOO]- 332.07355 174.8
[M+CH3COO]- 346.08920 195.5
[M+Na-2H]- 308.05002 162.3
[M]+ 287.07480 158.7
[M]- 287.07590 158.7
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.