CID 513612

Dpmpa

Structural Information

Molecular Formula
C10H17N5O8P2
SMILES
C1=NC(=C2C(=N1)N(C=N2)CC(COCP(=O)(O)O)OCP(=O)(O)O)N
InChI
InChI=1S/C10H17N5O8P2/c11-9-8-10(13-3-12-9)15(4-14-8)1-7(23-6-25(19,20)21)2-22-5-24(16,17)18/h3-4,7H,1-2,5-6H2,(H2,11,12,13)(H2,16,17,18)(H2,19,20,21)
InChIKey
QGORCYRTFBXJMK-UHFFFAOYSA-N
Compound name
[1-(6-aminopurin-9-yl)-3-(phosphonomethoxy)propan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

397.05524 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.06252 184.8
[M+Na]+ 420.04446 188.8
[M-H]- 396.04796 177.1
[M+NH4]+ 415.08906 190.0
[M+K]+ 436.01840 189.0
[M+H-H2O]+ 380.05250 172.4
[M+HCOO]- 442.05344 206.7
[M+CH3COO]- 456.06909 212.5
[M+Na-2H]- 418.02991 186.7
[M]+ 397.05469 187.9
[M]- 397.05579 187.9
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

No patent data available for this compound.