CID 477850

Schembl24695860

Structural Information

Molecular Formula
C11H13N5O2
SMILES
C[C@]1(C=C[C@@H](O1)N2C=NC3=C(N=CN=C32)N)CO
InChI
InChI=1S/C11H13N5O2/c1-11(4-17)3-2-7(18-11)16-6-15-8-9(12)13-5-14-10(8)16/h2-3,5-7,17H,4H2,1H3,(H2,12,13,14)/t7-,11+/m1/s1
InChIKey
YIDBICIOHZXQHR-HQJQHLMTSA-N
Compound name
[(2R,5S)-2-(6-aminopurin-9-yl)-5-methyl-2H-furan-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

247.10692 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11420 151.5
[M+Na]+ 270.09614 163.1
[M-H]- 246.09964 154.6
[M+NH4]+ 265.14074 167.9
[M+K]+ 286.07008 160.1
[M+H-H2O]+ 230.10418 143.3
[M+HCOO]- 292.10512 171.5
[M+CH3COO]- 306.12077 164.1
[M+Na-2H]- 268.08159 157.0
[M]+ 247.10637 153.7
[M]- 247.10747 153.7
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.