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

2
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

patents stripe