CID 135537310

1-((2s,3s,4r,5r)-3,4,5,6-tetrahydroxy-tetrahydro-pyran-2-yl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one

Structural Information

Molecular Formula
C10H12N4O6
SMILES
C1=NN(C2=C1C(=O)NC=N2)[C@@H]3[C@H]([C@H]([C@H](C(O3)O)O)O)O
InChI
InChI=1S/C10H12N4O6/c15-4-5(16)9(20-10(19)6(4)17)14-7-3(1-13-14)8(18)12-2-11-7/h1-2,4-6,9-10,15-17,19H,(H,11,12,18)/t4-,5+,6-,9+,10?/m1/s1
InChIKey
YOBYIVULFRCBSE-ZXJGOUTNSA-N
Compound name
1-[(2S,3S,4R,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.07568 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08296 161.9
[M+Na]+ 307.06490 172.2
[M-H]- 283.06840 160.2
[M+NH4]+ 302.10950 170.7
[M+K]+ 323.03884 168.2
[M+H-H2O]+ 267.07294 154.2
[M+HCOO]- 329.07388 172.5
[M+CH3COO]- 343.08953 171.3
[M+Na-2H]- 305.05035 164.2
[M]+ 284.07513 160.4
[M]- 284.07623 160.4
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.