CID 511854

Chembl435625

Structural Information

Molecular Formula
C10H12N4O3
SMILES
C1[C@H](O[C@@H](O1)CO)N2C=CC3=C(N=CN=C32)N
InChI
InChI=1S/C10H12N4O3/c11-9-6-1-2-14(10(6)13-5-12-9)7-4-16-8(3-15)17-7/h1-2,5,7-8,15H,3-4H2,(H2,11,12,13)/t7-,8+/m0/s1
InChIKey
OZOBZSULJCYGKH-JGVFFNPUSA-N
Compound name
[(2R,4S)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-1,3-dioxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

236.09094 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.098216 148.4
[M+Na]+ 259.080158 158.3
[M-H]- 235.083664 152.8
[M+NH4]+ 254.124763 163.1
[M+K]+ 275.054098 157.1
[M+H-H2O]+ 219.088200 140.9
[M+HCOO]- 281.089141 167.7
[M+CH3COO]- 295.104791 161.0
[M+Na-2H]- 257.065606 152.9
[M]+ 236.09039142 150.0
[M]- 236.09148858 150.0
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.