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

literature stripe

Patent stripe

patents stripe