CID 454926

D4a 5'-opo2h2(ph)

Structural Information

Molecular Formula
C16H16N5O4P
SMILES
C1=CC=C(C=C1)P(=O)(O)OC[C@@H]2C=C[C@@H](O2)N3C=NC4=C(N=CN=C43)N
InChI
InChI=1S/C16H16N5O4P/c17-15-14-16(19-9-18-15)21(10-20-14)13-7-6-11(25-13)8-24-26(22,23)12-4-2-1-3-5-12/h1-7,9-11,13H,8H2,(H,22,23)(H2,17,18,19)/t11-,13+/m0/s1
InChIKey
RBGUTAWIQXQYTH-WCQYABFASA-N
Compound name
[(2S,5R)-5-(6-aminopurin-9-yl)-2,5-dihydrofuran-2-yl]methoxy-phenylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.094 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.10128 182.0
[M+Na]+ 396.08322 189.5
[M-H]- 372.08672 186.6
[M+NH4]+ 391.12782 190.3
[M+K]+ 412.05716 186.9
[M+H-H2O]+ 356.09126 169.8
[M+HCOO]- 418.09220 204.6
[M+CH3COO]- 432.10785 213.6
[M+Na-2H]- 394.06867 182.9
[M]+ 373.09345 184.0
[M]- 373.09455 184.0
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.