CID 476076

Gs 8368

Structural Information

Molecular Formula
C10H17N6O4P
SMILES
CN(C)C1=NC(=NC2=C1N=CN2CCOCP(=O)(O)O)N
InChI
InChI=1S/C10H17N6O4P/c1-15(2)8-7-9(14-10(11)13-8)16(5-12-7)3-4-20-6-21(17,18)19/h5H,3-4,6H2,1-2H3,(H2,11,13,14)(H2,17,18,19)
InChIKey
FCWMMAAAYMFXPF-UHFFFAOYSA-N
Compound name
2-[2-amino-6-(dimethylamino)purin-9-yl]ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

18
Patents

316.1049 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.11218 170.3
[M+Na]+ 339.09412 178.2
[M-H]- 315.09762 168.0
[M+NH4]+ 334.13872 181.3
[M+K]+ 355.06806 176.9
[M+H-H2O]+ 299.10216 159.5
[M+HCOO]- 361.10310 194.2
[M+CH3COO]- 375.11875 209.3
[M+Na-2H]- 337.07957 173.3
[M]+ 316.10435 174.6
[M]- 316.10545 174.6
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