CID 5273520

N-[9-(3,4-dihydroxy-5-hydroxymethyl-3-methyl-tetrahydro-furan-2-yl)-9h-purin-6-yl]-n-hydroxy-propionamide

Structural Information

Molecular Formula
C14H19N5O6
SMILES
CCC(=O)N(C1=NC=NC2=C1N=CN2[C@H]3[C@]([C@@H]([C@H](O3)CO)O)(C)O)O
InChI
InChI=1S/C14H19N5O6/c1-3-8(21)19(24)12-9-11(15-5-16-12)18(6-17-9)13-14(2,23)10(22)7(4-20)25-13/h5-7,10,13,20,22-24H,3-4H2,1-2H3/t7-,10-,13-,14-/m1/s1
InChIKey
OCIHBUXSXFCWOR-YTUKDDMISA-N
Compound name
N-[9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]purin-6-yl]-N-hydroxypropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.13354 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.14082 176.5
[M+Na]+ 376.12276 184.9
[M-H]- 352.12626 177.8
[M+NH4]+ 371.16736 187.2
[M+K]+ 392.09670 183.8
[M+H-H2O]+ 336.13080 169.5
[M+HCOO]- 398.13174 190.4
[M+CH3COO]- 412.14739 208.9
[M+Na-2H]- 374.10821 177.3
[M]+ 353.13299 180.2
[M]- 353.13409 180.2
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.