CID 512134

Schembl11255116

Structural Information

Molecular Formula
C11H13N5O5
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C(=O)N
InChI
InChI=1S/C11H13N5O5/c12-9(20)5-6-10(14-2-13-5)16(3-15-6)11-8(19)7(18)4(1-17)21-11/h2-4,7-8,11,17-19H,1H2,(H2,12,20)/t4-,7-,8-,11-/m1/s1
InChIKey
CZLXPRJWKRSIMZ-TZQXKBMNSA-N
Compound name
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

295.09167 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.09895 163.2
[M+Na]+ 318.08089 172.6
[M-H]- 294.08439 164.0
[M+NH4]+ 313.12549 174.1
[M+K]+ 334.05483 170.0
[M+H-H2O]+ 278.08893 155.6
[M+HCOO]- 340.08987 178.2
[M+CH3COO]- 354.10552 197.5
[M+Na-2H]- 316.06634 163.6
[M]+ 295.09112 163.7
[M]- 295.09222 163.7
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.