CID 135538689

85426-74-0

Structural Information

Molecular Formula
C10H13N5O5
SMILES
C1=NN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C10H13N5O5/c11-10-13-7-3(8(19)14-10)1-12-15(7)9-6(18)5(17)4(2-16)20-9/h1,4-6,9,16-18H,2H2,(H3,11,13,14,19)/t4-,5-,6-,9-/m1/s1
InChIKey
MJJUWOIBPREHRU-MWKIOEHESA-N
Compound name
6-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3990
Patents

283.09167 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09895 160.8
[M+Na]+ 306.08089 171.4
[M-H]- 282.08439 160.7
[M+NH4]+ 301.12549 171.9
[M+K]+ 322.05483 167.6
[M+H-H2O]+ 266.08893 153.7
[M+HCOO]- 328.08987 175.5
[M+CH3COO]- 342.10552 171.1
[M+Na-2H]- 304.06634 161.5
[M]+ 283.09112 160.3
[M]- 283.09222 160.3
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