CID 188966

Dadp

Structural Information

Molecular Formula
C10H15N5O9P2
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)O)O
InChI
InChI=1S/C10H15N5O9P2/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(23-7)2-22-26(20,21)24-25(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
InChIKey
DAEAPNUQQAICNR-RRKCRQDMSA-N
Compound name
[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

3346
Patents

411.03452 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.04180 181.9
[M+Na]+ 434.02374 185.5
[M+NH4]+ 429.06834 180.9
[M+K]+ 449.99768 193.7
[M-H]- 410.02724 177.2
[M+Na-2H]- 432.00919 179.5
[M]+ 411.03397 179.9
[M]- 411.03507 179.9
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