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]+ 250.12985 155.3
[M+Na]+ 272.11179 165.7
[M-H]- 248.11529 158.0
[M+NH4]+ 267.15639 169.7
[M+K]+ 288.08573 162.6
[M+H-H2O]+ 232.11983 146.9
[M+HCOO]- 294.12077 173.7
[M+CH3COO]- 308.13642 167.1
[M+Na-2H]- 270.09724 157.7
[M]+ 249.12202 156.0
[M]- 249.12312 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.