CID 98567

35788-27-3

Structural Information

Molecular Formula
C11H14N6O4
SMILES
CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1
InChIKey
PLYRYAHDNXANEG-QMWPFBOUSA-N
Compound name
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

41
References

957
Patents

294.10767 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11495 164.1
[M+Na]+ 317.09689 173.4
[M-H]- 293.10039 166.4
[M+NH4]+ 312.14149 175.6
[M+K]+ 333.07083 171.0
[M+H-H2O]+ 277.10493 156.0
[M+HCOO]- 339.10587 181.6
[M+CH3COO]- 353.12152 174.6
[M+Na-2H]- 315.08234 165.6
[M]+ 294.10712 164.3
[M]- 294.10822 164.3
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.