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]+ 300.13024 166.3
[M+Na]+ 322.11218 173.1
[M-H]- 298.11568 169.1
[M+NH4]+ 317.15678 176.9
[M+K]+ 338.08612 170.7
[M+H-H2O]+ 282.12022 157.9
[M+HCOO]- 344.12116 185.8
[M+CH3COO]- 358.13681 204.6
[M+Na-2H]- 320.09763 167.2
[M]+ 299.12241 163.3
[M]- 299.12351 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.