CID 494911

Nsc636227

Structural Information

Molecular Formula
C11H17N5O5
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CO)N=C(N)NO
InChI
InChI=1S/C11H17N5O5/c1-5-3-16(11(19)14-9(5)18)8-2-6(7(4-17)21-8)13-10(12)15-20/h3,6-8,17,20H,2,4H2,1H3,(H3,12,13,15)(H,14,18,19)/t6-,7+,8+/m1/s1
InChIKey
MNOXVKPJNVQJIC-CSMHCCOUSA-N
Compound name
1-hydroxy-2-[(2R,3R,5S)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.12296 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.130236 166.3
[M+Na]+ 322.112178 173.1
[M-H]- 298.115684 169.1
[M+NH4]+ 317.156783 176.9
[M+K]+ 338.086118 170.7
[M+H-H2O]+ 282.120220 157.9
[M+HCOO]- 344.121161 185.8
[M+CH3COO]- 358.136811 204.6
[M+Na-2H]- 320.097626 167.2
[M]+ 299.12241142 163.3
[M]- 299.12350858 163.3
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.