CID 3010203

[(2s,3s,4s)-4-(6-aminopurin-9-yl)-3-methyl-tetrahydrofuran-2-yl]methanol

Structural Information

Molecular Formula
C11H15N5O2
SMILES
C[C@H]1[C@@H](CO[C@@H]1CO)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C11H15N5O2/c1-6-7(3-18-8(6)2-17)16-5-15-9-10(12)13-4-14-11(9)16/h4-8,17H,2-3H2,1H3,(H2,12,13,14)/t6-,7+,8+/m0/s1
InChIKey
XUOIXNLGNKWDMH-XLPZGREQSA-N
Compound name
[(2S,3S,4S)-4-(6-aminopurin-9-yl)-3-methyloxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.12257 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.129846 155.3
[M+Na]+ 272.111788 165.7
[M-H]- 248.115294 158.0
[M+NH4]+ 267.156393 169.7
[M+K]+ 288.085728 162.6
[M+H-H2O]+ 232.119830 146.9
[M+HCOO]- 294.120771 173.7
[M+CH3COO]- 308.136421 167.1
[M+Na-2H]- 270.097236 157.7
[M]+ 249.12202142 156.0
[M]- 249.12311858 156.0
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

No patent data available for this compound.