CID 5274097

N-[7-[(2r,5s)-5-[(2,4,4-trimethyl-5-oxo-1,3-dioxolan-2-yl)oxymethyl]-2,5-dihydrofuran-2-yl]-5h-pyrrolo[3,2-d]pyrimidin-4-yl]acetamide

Structural Information

Molecular Formula
C19H22N4O6
SMILES
CC(=O)NC1=NC=NC2=C1NC=C2[C@H]3C=C[C@H](O3)COC4(OC(=O)C(O4)(C)C)C
InChI
InChI=1S/C19H22N4O6/c1-10(24)23-16-15-14(21-9-22-16)12(7-20-15)13-6-5-11(27-13)8-26-19(4)28-17(25)18(2,3)29-19/h5-7,9,11,13,20H,8H2,1-4H3,(H,21,22,23,24)/t11-,13+,19?/m0/s1
InChIKey
GEDBKLVQJCSZJE-UXVCLIMPSA-N
Compound name
N-[7-[(2R,5S)-5-[(2,4,4-trimethyl-5-oxo-1,3-dioxolan-2-yl)oxymethyl]-2,5-dihydrofuran-2-yl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.15393 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.16121 186.8
[M+Na]+ 425.14315 196.0
[M-H]- 401.14665 196.2
[M+NH4]+ 420.18775 198.9
[M+K]+ 441.11709 196.3
[M+H-H2O]+ 385.15119 181.3
[M+HCOO]- 447.15213 203.2
[M+CH3COO]- 461.16778 197.7
[M+Na-2H]- 423.12860 187.4
[M]+ 402.15338 193.8
[M]- 402.15448 193.8
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.