CID 192

Adenosine diphosphate ribose

Structural Information

Molecular Formula
C15H23N5O14P2
SMILES
C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)O)N
InChI
InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)
InChIKey
SRNWOUGRCWSEMX-UHFFFAOYSA-N
Compound name
[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (3,4,5-trihydroxyoxolan-2-yl)methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3443
References

9153
Patents

559.07166 Da
Monoisotopic Mass

-6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.07894 212.5
[M+Na]+ 582.06088 217.4
[M+NH4]+ 577.10548 213.7
[M+K]+ 598.03482 217.3
[M-H]- 558.06438 207.3
[M+Na-2H]- 580.04633 210.0
[M]+ 559.07111 211.6
[M]- 559.07221 211.6
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