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

9
Patents

236.09094 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.098216 147.9
[M+Na]+ 259.080158 158.3
[M-H]- 235.083664 149.9
[M+NH4]+ 254.124763 162.2
[M+K]+ 275.054098 155.1
[M+H-H2O]+ 219.088200 133.6
[M+HCOO]- 281.089141 164.0
[M+CH3COO]- 295.104791 199.3
[M+Na-2H]- 257.065606 152.0
[M]+ 236.09039142 141.4
[M]- 236.09148858 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

patents stripe