CID 135429853

9h-purin-6-ol, 9-(6-deoxyhexopyranosyl)-

Structural Information

Molecular Formula
C11H14N4O5
SMILES
CC1C(C(C(C(O1)N2C=NC3=C2N=CNC3=O)O)O)O
InChI
InChI=1S/C11H14N4O5/c1-4-6(16)7(17)8(18)11(20-4)15-3-14-5-9(15)12-2-13-10(5)19/h2-4,6-8,11,16-18H,1H3,(H,12,13,19)
InChIKey
RSNBCGPCWSPXDC-UHFFFAOYSA-N
Compound name
9-(3,4,5-trihydroxy-6-methyloxan-2-yl)-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

282.0964 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10368 163.8
[M+Na]+ 305.08562 174.3
[M-H]- 281.08912 163.1
[M+NH4]+ 300.13022 173.5
[M+K]+ 321.05956 170.1
[M+H-H2O]+ 265.09366 155.8
[M+HCOO]- 327.09460 175.4
[M+CH3COO]- 341.11025 173.6
[M+Na-2H]- 303.07107 165.7
[M]+ 282.09585 162.9
[M]- 282.09695 162.9
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

patents stripe