CID 5272815

2-[6-(cyclopropylamino)purin-9-yl]ethoxymethylphosphonic acid

Structural Information

Molecular Formula
C11H16N5O4P
SMILES
C1CC1NC2=C3C(=NC=N2)N(C=N3)CCOCP(=O)(O)O
InChI
InChI=1S/C11H16N5O4P/c17-21(18,19)7-20-4-3-16-6-14-9-10(15-8-1-2-8)12-5-13-11(9)16/h5-6,8H,1-4,7H2,(H,12,13,15)(H2,17,18,19)
InChIKey
YOPVNIUQNICILC-UHFFFAOYSA-N
Compound name
2-[6-(cyclopropylamino)purin-9-yl]ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

313.094 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10128 178.4
[M+Na]+ 336.08322 187.7
[M-H]- 312.08672 178.1
[M+NH4]+ 331.12782 184.4
[M+K]+ 352.05716 181.9
[M+H-H2O]+ 296.09126 167.7
[M+HCOO]- 358.09220 201.0
[M+CH3COO]- 372.10785 204.0
[M+Na-2H]- 334.06867 181.5
[M]+ 313.09345 183.8
[M]- 313.09455 183.8
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.