CID 451451

D4mea

Structural Information

Molecular Formula
C11H13N5O2
SMILES
CNC1=C2C(=NC=N1)N(C=N2)[C@H]3C=C[C@H](O3)CO
InChI
InChI=1S/C11H13N5O2/c1-12-10-9-11(14-5-13-10)16(6-15-9)8-3-2-7(4-17)18-8/h2-3,5-8,17H,4H2,1H3,(H,12,13,14)/t7-,8+/m0/s1
InChIKey
PTVIQIRZWYHMSO-JGVFFNPUSA-N
Compound name
[(2S,5R)-5-[6-(methylamino)purin-9-yl]-2,5-dihydrofuran-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

247.10692 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11420 152.3
[M+Na]+ 270.09614 162.8
[M-H]- 246.09964 155.5
[M+NH4]+ 265.14074 166.8
[M+K]+ 286.07008 159.9
[M+H-H2O]+ 230.10418 143.5
[M+HCOO]- 292.10512 172.8
[M+CH3COO]- 306.12077 164.6
[M+Na-2H]- 268.08159 157.5
[M]+ 247.10637 155.0
[M]- 247.10747 155.0
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.