CID 452342

5-aza-1-deaza-d4c

Structural Information

Molecular Formula
C9H11N3O3
SMILES
C1=C[C@@H](O[C@@H]1CO)C2=CN=C(NC2=O)N
InChI
InChI=1S/C9H11N3O3/c10-9-11-3-6(8(14)12-9)7-2-1-5(4-13)15-7/h1-3,5,7,13H,4H2,(H3,10,11,12,14)/t5-,7+/m0/s1
InChIKey
QKCUPBQEYYKORF-CAHLUQPWSA-N
Compound name
2-amino-5-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

209.08005 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.08733 143.3
[M+Na]+ 232.06927 152.1
[M-H]- 208.07277 145.7
[M+NH4]+ 227.11387 158.2
[M+K]+ 248.04321 149.2
[M+H-H2O]+ 192.07731 135.8
[M+HCOO]- 254.07825 163.3
[M+CH3COO]- 268.09390 181.2
[M+Na-2H]- 230.05472 147.4
[M]+ 209.07950 141.0
[M]- 209.08060 141.0
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.