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

literature stripe

Patent stripe

patents stripe