CID 135429892

Nsc337589

Structural Information

Molecular Formula
C11H14N4O5
SMILES
CC([C@H]1[C@@H]([C@@H]([C@H](O1)N2C=NC3=C2N=CNC3=O)O)O)O
InChI
InChI=1S/C11H14N4O5/c1-4(16)8-6(17)7(18)11(20-8)15-3-14-5-9(15)12-2-13-10(5)19/h2-4,6-8,11,16-18H,1H3,(H,12,13,19)/t4?,6-,7+,8+,11+/m1/s1
InChIKey
GNEUXCLUOVTONK-OWAPBEDPSA-N
Compound name
9-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0964 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10368 160.9
[M+Na]+ 305.08562 170.9
[M-H]- 281.08912 160.8
[M+NH4]+ 300.13022 172.3
[M+K]+ 321.05956 167.7
[M+H-H2O]+ 265.09366 153.9
[M+HCOO]- 327.09460 174.0
[M+CH3COO]- 341.11025 171.2
[M+Na-2H]- 303.07107 161.0
[M]+ 282.09585 161.3
[M]- 282.09695 161.3
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.