CID 5480483

Bis(neopentyloc)pmpa

Structural Information

Molecular Formula
C23H38N5O10P
SMILES
C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(OCOC(=O)OCC(C)(C)C)OCOC(=O)OCC(C)(C)C
InChI
InChI=1S/C23H38N5O10P/c1-16(8-28-12-27-17-18(24)25-11-26-19(17)28)36-15-39(31,37-13-34-20(29)32-9-22(2,3)4)38-14-35-21(30)33-10-23(5,6)7/h11-12,16H,8-10,13-15H2,1-7H3,(H2,24,25,26)/t16-/m1/s1
InChIKey
ZLXBPOXDCPMQEW-MRXNPFEDSA-N
Compound name
[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(2,2-dimethylpropoxycarbonyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

575.23566 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 576.24294 232.8
[M+Na]+ 598.22488 234.0
[M-H]- 574.22838 230.8
[M+NH4]+ 593.26948 227.4
[M+K]+ 614.19882 237.5
[M+H-H2O]+ 558.23292 221.7
[M+HCOO]- 620.23386 232.0
[M+CH3COO]- 634.24951 252.3
[M+Na-2H]- 596.21033 234.9
[M]+ 575.23511 247.3
[M]- 575.23621 247.3
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.