CID 453663

4'-cnddc

Structural Information

Molecular Formula
C10H12N4O3
SMILES
C1C[C@](O[C@H]1N2C=CC(=NC2=O)N)(CO)C#N
InChI
InChI=1S/C10H12N4O3/c11-5-10(6-15)3-1-8(17-10)14-4-2-7(12)13-9(14)16/h2,4,8,15H,1,3,6H2,(H2,12,13,16)/t8-,10-/m1/s1
InChIKey
IJZWAIZGHMZOQU-PSASIEDQSA-N
Compound name
(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

236.09094 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.09822 147.9
[M+Na]+ 259.08016 158.3
[M-H]- 235.08366 149.9
[M+NH4]+ 254.12476 162.2
[M+K]+ 275.05410 155.1
[M+H-H2O]+ 219.08820 133.6
[M+HCOO]- 281.08914 164.0
[M+CH3COO]- 295.10479 199.3
[M+Na-2H]- 257.06561 152.0
[M]+ 236.09039 141.4
[M]- 236.09149 141.4
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.