CID 5274099

[(2r,4s)-4-(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol

Structural Information

Molecular Formula
C11H12N4O3
SMILES
C1=C(C2=C(N1)C(=NC=N2)N)[C@H]3C4C(O4)[C@H](O3)CO
InChI
InChI=1S/C11H12N4O3/c12-11-7-6(14-3-15-11)4(1-13-7)8-10-9(18-10)5(2-16)17-8/h1,3,5,8-10,13,16H,2H2,(H2,12,14,15)/t5-,8+,9?,10?/m1/s1
InChIKey
NGFUYNYPVKTEJR-IBURAEQXSA-N
Compound name
[(2R,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.09094 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.09822 155.5
[M+Na]+ 271.08016 168.6
[M-H]- 247.08366 160.4
[M+NH4]+ 266.12476 165.8
[M+K]+ 287.05410 163.7
[M+H-H2O]+ 231.08820 149.3
[M+HCOO]- 293.08914 172.5
[M+CH3COO]- 307.10479 167.4
[M+Na-2H]- 269.06561 159.7
[M]+ 248.09039 160.0
[M]- 248.09149 160.0
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.