CID 6365087

1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidine-4-selone

Structural Information

Molecular Formula
C10H11N4O4Se
SMILES
C1=NN(C2=C1C(=NC=N2)[Se])[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C10H11N4O4Se/c15-2-5-6(16)7(17)10(18-5)14-8-4(1-13-14)9(19)12-3-11-8/h1,3,5-7,10,15-17H,2H2/t5-,6-,7-,10-/m1/s1
InChIKey
AJONQIAQDBMFGJ-DAGMQNCNSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.99454 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.00182 169.7
[M+Na]+ 353.98376 179.9
[M-H]- 329.98726 170.1
[M+NH4]+ 349.02836 182.0
[M+K]+ 369.95770 176.6
[M+H-H2O]+ 313.99180 161.6
[M+HCOO]- 375.99274 184.2
[M+CH3COO]- 390.00839 180.0
[M+Na-2H]- 351.96921 169.8
[M]+ 330.99399 171.6
[M]- 330.99509 171.6
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.