CID 6365088

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

Structural Information

Molecular Formula
C10H10BrN4O4Se
SMILES
C1=NC2=C(C(=N1)[Se])C(=NN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Br
InChI
InChI=1S/C10H10BrN4O4Se/c11-7-4-8(12-2-13-9(4)20)15(14-7)10-6(18)5(17)3(1-16)19-10/h2-3,5-6,10,16-18H,1H2/t3-,5-,6-,10-/m1/s1
InChIKey
LOHQSHNOFIYBHF-BHBWVORQSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

408.90506 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.91234 178.6
[M+Na]+ 431.89428 192.0
[M-H]- 407.89778 182.1
[M+NH4]+ 426.93888 192.1
[M+K]+ 447.86822 181.1
[M+H-H2O]+ 391.90232 177.3
[M+HCOO]- 453.90326 191.3
[M+CH3COO]- 467.91891 190.3
[M+Na-2H]- 429.87973 179.4
[M]+ 408.90451 199.1
[M]- 408.90561 199.1
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

No patent data available for this compound.