CID 476084

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

Structural Information

Molecular Formula
C14H23N6O4P
SMILES
C1CCC(CC1)NC2=C3C(=NC(=N2)N)N(C=N3)CCOCP(=O)(O)O
InChI
InChI=1S/C14H23N6O4P/c15-14-18-12(17-10-4-2-1-3-5-10)11-13(19-14)20(8-16-11)6-7-24-9-25(21,22)23/h8,10H,1-7,9H2,(H2,21,22,23)(H3,15,17,18,19)
InChIKey
RNEZKSRCNHKGSK-UHFFFAOYSA-N
Compound name
2-[2-amino-6-(cyclohexylamino)purin-9-yl]ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.15186 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.15914 182.2
[M+Na]+ 393.14108 186.3
[M-H]- 369.14458 180.3
[M+NH4]+ 388.18568 189.5
[M+K]+ 409.11502 182.9
[M+H-H2O]+ 353.14912 170.0
[M+HCOO]- 415.15006 201.2
[M+CH3COO]- 429.16571 215.4
[M+Na-2H]- 391.12653 183.7
[M]+ 370.15131 179.9
[M]- 370.15241 179.9
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.