CID 510576

Chembl320200

Structural Information

Molecular Formula
C11H17N5O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)N=C(N)N)O
InChI
InChI=1S/C11H17N5O5/c1-4-2-16(11(20)15-8(4)19)9-7(18)6(14-10(12)13)5(3-17)21-9/h2,5-7,9,17-18H,3H2,1H3,(H4,12,13,14)(H,15,19,20)/t5-,6-,7-,9-/m1/s1
InChIKey
WBXVUUMZCKIHOU-JXOAFFINSA-N
Compound name
2-[(2S,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

299.12296 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13024 167.5
[M+Na]+ 322.11218 175.0
[M-H]- 298.11568 170.1
[M+NH4]+ 317.15678 178.0
[M+K]+ 338.08612 172.4
[M+H-H2O]+ 282.12022 159.4
[M+HCOO]- 344.12116 186.2
[M+CH3COO]- 358.13681 206.4
[M+Na-2H]- 320.09763 166.5
[M]+ 299.12241 164.0
[M]- 299.12351 164.0
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.