CID 465383

Cf-1001

Structural Information

Molecular Formula
C20H23N6O6P
SMILES
C[C@@H](C(=O)OC)NP(=O)(OC[C@@H]1C=C[C@@H](O1)N2C=NC3=C(N=CN=C32)N)OC4=CC=CC=C4
InChI
InChI=1S/C20H23N6O6P/c1-13(20(27)29-2)25-33(28,32-14-6-4-3-5-7-14)30-10-15-8-9-16(31-15)26-12-24-17-18(21)22-11-23-19(17)26/h3-9,11-13,15-16H,10H2,1-2H3,(H,25,28)(H2,21,22,23)/t13-,15-,16+,33?/m0/s1
InChIKey
ZBSURXIIEJERBJ-KMUZCZNQSA-N
Compound name
methyl (2S)-2-[[[(2S,5R)-5-(6-aminopurin-9-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

474.14166 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.14894 202.9
[M+Na]+ 497.13088 206.7
[M-H]- 473.13438 208.8
[M+NH4]+ 492.17548 206.9
[M+K]+ 513.10482 206.8
[M+H-H2O]+ 457.13892 190.0
[M+HCOO]- 519.13986 225.2
[M+CH3COO]- 533.15551 237.4
[M+Na-2H]- 495.11633 202.7
[M]+ 474.14111 208.0
[M]- 474.14221 208.0
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.