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

literature stripe

Patent stripe

patents stripe