CID 5273482

3-[[9-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl]purin-6-yl]amino]propanamide

Structural Information

Molecular Formula
C14H20N6O5
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NCCC(=O)N)CO)O)O
InChI
InChI=1S/C14H20N6O5/c1-14(24)10(23)7(4-21)25-13(14)20-6-19-9-11(16-3-2-8(15)22)17-5-18-12(9)20/h5-7,10,13,21,23-24H,2-4H2,1H3,(H2,15,22)(H,16,17,18)/t7-,10-,13-,14-/m1/s1
InChIKey
VTGUHITYWLHUJE-YTUKDDMISA-N
Compound name
3-[[9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]purin-6-yl]amino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.1495 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.15678 176.7
[M+Na]+ 375.13872 184.8
[M-H]- 351.14222 177.5
[M+NH4]+ 370.18332 187.0
[M+K]+ 391.11266 182.2
[M+H-H2O]+ 335.14676 169.1
[M+HCOO]- 397.14770 191.9
[M+CH3COO]- 411.16335 211.3
[M+Na-2H]- 373.12417 178.4
[M]+ 352.14895 178.1
[M]- 352.15005 178.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.