CID 452053

Cnddc

Structural Information

Molecular Formula
C10H12N4O4
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)C#N)O
InChI
InChI=1S/C10H12N4O4/c11-3-5-6(4-15)18-9(8(5)16)14-2-1-7(12)13-10(14)17/h1-2,5-6,8-9,15-16H,4H2,(H2,12,13,17)/t5-,6-,8-,9-/m1/s1
InChIKey
VOLULCZCNIOZLQ-SQEXRHODSA-N
Compound name
(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolane-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.08586 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09314 152.5
[M+Na]+ 275.07508 162.5
[M-H]- 251.07858 153.6
[M+NH4]+ 270.11968 164.0
[M+K]+ 291.04902 159.9
[M+H-H2O]+ 235.08312 138.0
[M+HCOO]- 297.08406 167.2
[M+CH3COO]- 311.09971 202.2
[M+Na-2H]- 273.06053 153.6
[M]+ 252.08531 145.8
[M]- 252.08641 145.8
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.