CID 490447

[(2r,4r)-4-(6-amino-4,5-dihydropurin-9-yl)-3-methylene-tetrahydrofuran-2-yl]methanol

Structural Information

Molecular Formula
C11H15N5O2
SMILES
C=C1[C@H](CO[C@H]1CO)N2C=NC3C2N=CN=C3N
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/h4-5,7-9,11,17H,1-3H2,(H2,12,13,14)/t7-,8-,9?,11?/m0/s1
InChIKey
IPGLWBZCVVFKDN-PCWJGIJCSA-N
Compound name
[(2R,4R)-4-(6-amino-4,5-dihydropurin-9-yl)-3-methylideneoxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.12257 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12985 157.5
[M+Na]+ 272.11179 166.1
[M-H]- 248.11529 159.3
[M+NH4]+ 267.15639 171.5
[M+K]+ 288.08573 162.9
[M+H-H2O]+ 232.11983 149.0
[M+HCOO]- 294.12077 173.1
[M+CH3COO]- 308.13642 168.1
[M+Na-2H]- 270.09724 157.9
[M]+ 249.12202 154.7
[M]- 249.12312 154.7
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.