CID 469033

(rs)-fpmpapp

Structural Information

Molecular Formula
C9H15FN5O10P3
SMILES
C1=NC(=C2C(=N1)N(C=N2)CC(CF)OCP(=O)(O)OP(=O)(O)OP(=O)(O)O)N
InChI
InChI=1S/C9H15FN5O10P3/c10-1-6(2-15-4-14-7-8(11)12-3-13-9(7)15)23-5-26(16,17)24-28(21,22)25-27(18,19)20/h3-4,6H,1-2,5H2,(H,16,17)(H,21,22)(H2,11,12,13)(H2,18,19,20)
InChIKey
VAQQKALTHVOKJB-UHFFFAOYSA-N
Compound name
[1-(6-aminopurin-9-yl)-3-fluoropropan-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

465.0016 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.00888 192.7
[M+Na]+ 487.99082 194.8
[M-H]- 463.99432 183.0
[M+NH4]+ 483.03542 194.9
[M+K]+ 503.96476 197.6
[M+H-H2O]+ 447.99886 177.6
[M+HCOO]- 509.99980 216.9
[M+CH3COO]- 524.01545 223.8
[M+Na-2H]- 485.97627 196.4
[M]+ 465.00105 195.4
[M]- 465.00215 195.4
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.