CID 495818

Nsc669376

Structural Information

Molecular Formula
C24H44N5O6PSi
SMILES
CCN(CC)C1=NC=NC2=C1N=CN2[C@@H]3C[C@H]([C@@H](O3)CO[Si](C)(C)C(C)(C)C)OP(=O)(OCC)OCC
InChI
InChI=1S/C24H44N5O6PSi/c1-10-28(11-2)22-21-23(26-16-25-22)29(17-27-21)20-14-18(35-36(30,31-12-3)32-13-4)19(34-20)15-33-37(8,9)24(5,6)7/h16-20H,10-15H2,1-9H3/t18-,19+,20+/m1/s1
InChIKey
ABAHDYXYXVVXMY-AABGKKOBSA-N
Compound name
[(2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[6-(diethylamino)purin-9-yl]oxolan-3-yl] diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

557.27985 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.28713 238.1
[M+Na]+ 580.26907 240.6
[M-H]- 556.27257 241.4
[M+NH4]+ 575.31367 241.9
[M+K]+ 596.24301 242.3
[M+H-H2O]+ 540.27711 226.8
[M+HCOO]- 602.27805 254.5
[M+CH3COO]- 616.29370 255.2
[M+Na-2H]- 578.25452 236.8
[M]+ 557.27930 250.2
[M]- 557.28040 250.2
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.