CID 13887784

Dzmp

Structural Information

Molecular Formula
C10H15N6O6P
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)N)N)COP(=O)(O)O)O
InChI
InChI=1S/C10H15N6O6P/c11-8-7-9(15-10(12)14-8)16(3-13-7)6-1-4(17)5(22-6)2-21-23(18,19)20/h3-6,17H,1-2H2,(H2,18,19,20)(H4,11,12,14,15)/t4-,5+,6+/m0/s1
InChIKey
RZZBUMCFKOLHEH-KVQBGUIXSA-N
Compound name
[(2R,3S,5R)-5-(2,6-diaminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

535
Patents

346.07907 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.08635 172.9
[M+Na]+ 369.06829 180.0
[M-H]- 345.07179 172.1
[M+NH4]+ 364.11289 181.2
[M+K]+ 385.04223 179.1
[M+H-H2O]+ 329.07633 162.9
[M+HCOO]- 391.07727 192.6
[M+CH3COO]- 405.09292 208.7
[M+Na-2H]- 367.05374 172.7
[M]+ 346.07852 172.7
[M]- 346.07962 172.7
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

patents stripe