CID 476082

Cprpmedap

Structural Information

Molecular Formula
C11H17N6O4P
SMILES
C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)CCOCP(=O)(O)O
InChI
InChI=1S/C11H17N6O4P/c12-11-15-9(14-7-1-2-7)8-10(16-11)17(5-13-8)3-4-21-6-22(18,19)20/h5,7H,1-4,6H2,(H2,18,19,20)(H3,12,14,15,16)
InChIKey
PDHWTDJKKJYOGD-UHFFFAOYSA-N
Compound name
2-[2-amino-6-(cyclopropylamino)purin-9-yl]ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

77
Patents

328.1049 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.11218 179.2
[M+Na]+ 351.09412 188.5
[M-H]- 327.09762 179.0
[M+NH4]+ 346.13872 184.5
[M+K]+ 367.06806 182.2
[M+H-H2O]+ 311.10216 169.0
[M+HCOO]- 373.10310 202.3
[M+CH3COO]- 387.11875 209.9
[M+Na-2H]- 349.07957 181.9
[M]+ 328.10435 183.6
[M]- 328.10545 183.6
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

No patent data available for this compound.