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

106
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

literature stripe

Patent stripe

patents stripe