CID 135480601

Chembl342689

Structural Information

Molecular Formula
C10H12N4O4
SMILES
C1[C@@H](O[C@@H](O1)CO)N2C=CC3=C2N=C(NC3=O)N
InChI
InChI=1S/C10H12N4O4/c11-10-12-8-5(9(16)13-10)1-2-14(8)6-4-17-7(3-15)18-6/h1-2,6-7,15H,3-4H2,(H3,11,12,13,16)/t6-,7-/m1/s1
InChIKey
FTTGRIRSWIQVQJ-RNFRBKRXSA-N
Compound name
2-amino-7-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
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 152.1
[M+Na]+ 275.07508 162.5
[M-H]- 251.07858 155.6
[M+NH4]+ 270.11968 165.5
[M+K]+ 291.04902 160.4
[M+H-H2O]+ 235.08312 145.1
[M+HCOO]- 297.08406 170.2
[M+CH3COO]- 311.09971 164.2
[M+Na-2H]- 273.06053 155.5
[M]+ 252.08531 153.0
[M]- 252.08641 153.0
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.