CID 466837

Methyl (2s)-2-[[[(2s,5r)-5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]methoxy-phenoxy-phosphoryl]amino]propanoate

Structural Information

Molecular Formula
C20H25N6O6P
SMILES
C[C@@H](C(=O)OC)NP(=O)(OC[C@@H]1CC[C@@H](O1)N2C=NC3=C(N=CN=C32)N)OC4=CC=CC=C4
InChI
InChI=1S/C20H25N6O6P/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/h3-7,11-13,15-16H,8-10H2,1-2H3,(H,25,28)(H2,21,22,23)/t13-,15-,16+,33?/m0/s1
InChIKey
MEIQYGINPYGNOM-KMUZCZNQSA-N
Compound name
methyl (2S)-2-[[[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

476.15732 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.16460 203.3
[M+Na]+ 499.14654 206.1
[M-H]- 475.15004 208.6
[M+NH4]+ 494.19114 207.1
[M+K]+ 515.12048 206.4
[M+H-H2O]+ 459.15458 190.3
[M+HCOO]- 521.15552 224.2
[M+CH3COO]- 535.17117 237.8
[M+Na-2H]- 497.13199 202.2
[M]+ 476.15677 207.1
[M]- 476.15787 207.1
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.