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]+ 300.130236 167.5
[M+Na]+ 322.112178 175.0
[M-H]- 298.115684 170.1
[M+NH4]+ 317.156783 178.0
[M+K]+ 338.086118 172.4
[M+H-H2O]+ 282.120220 159.4
[M+HCOO]- 344.121161 186.2
[M+CH3COO]- 358.136811 206.4
[M+Na-2H]- 320.097626 166.5
[M]+ 299.12241142 164.0
[M]- 299.12350858 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.