CID 512704

Chembl1791038

Structural Information

Molecular Formula
C11H16N4O3
SMILES
C1CN(C2=NC=NC(=C21)N)[C@H]3[C@@H](C[C@H](O3)CO)O
InChI
InChI=1S/C11H16N4O3/c12-9-7-1-2-15(10(7)14-5-13-9)11-8(17)3-6(4-16)18-11/h5-6,8,11,16-17H,1-4H2,(H2,12,13,14)/t6-,8+,11+/m0/s1
InChIKey
VPKIOCDBUSOGML-FMTFEUNWSA-N
Compound name
(2R,3R,5S)-2-(4-amino-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.12224 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12952 155.7
[M+Na]+ 275.11146 163.3
[M-H]- 251.11496 157.5
[M+NH4]+ 270.15606 170.3
[M+K]+ 291.08540 160.7
[M+H-H2O]+ 235.11950 148.2
[M+HCOO]- 297.12044 171.2
[M+CH3COO]- 311.13609 166.3
[M+Na-2H]- 273.09691 156.3
[M]+ 252.12169 152.7
[M]- 252.12279 152.7
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.