CID 121373788

Nuc-7738

Structural Information

Molecular Formula
C26H29N6O7P
SMILES
C[C@@H](C(=O)OCC1=CC=CC=C1)NP(=O)(OC[C@@H]2C[C@@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OC5=CC=CC=C5
InChI
InChI=1S/C26H29N6O7P/c1-17(26(34)36-13-18-8-4-2-5-9-18)31-40(35,39-19-10-6-3-7-11-19)37-14-20-12-21(33)25(38-20)32-16-30-22-23(27)28-15-29-24(22)32/h2-11,15-17,20-21,25,33H,12-14H2,1H3,(H,31,35)(H2,27,28,29)/t17-,20-,21-,25+,40?/m0/s1
InChIKey
UDLWWGQHMQIYCV-FELPLCCLSA-N
Compound name
benzyl (2S)-2-[[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

568.18353 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.19081 226.1
[M+Na]+ 591.17275 234.2
[M+NH4]+ 586.21735 227.1
[M+K]+ 607.14669 236.7
[M-H]- 567.17625 230.0
[M+Na-2H]- 589.15820 230.6
[M]+ 568.18298 227.6
[M]- 568.18408 227.6
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

patents stripe