CID 15956274

3,3(2h)-furandimethanol, 5-(6-amino-9h-purin-9-yl)dihydro-, (5s)-

Structural Information

Molecular Formula
C11H15N5O3
SMILES
C1[C@H](OCC1(CO)CO)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C11H15N5O3/c12-9-8-10(14-5-13-9)16(6-15-8)7-1-11(2-17,3-18)4-19-7/h5-7,17-18H,1-4H2,(H2,12,13,14)/t7-/m0/s1
InChIKey
YZPMASWMAJFAIW-ZETCQYMHSA-N
Compound name
[(5S)-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxolan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.1175 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12478 155.5
[M+Na]+ 288.10672 165.3
[M-H]- 264.11022 156.9
[M+NH4]+ 283.15132 170.2
[M+K]+ 304.08066 162.4
[M+H-H2O]+ 248.11476 147.5
[M+HCOO]- 310.11570 172.7
[M+CH3COO]- 324.13135 166.7
[M+Na-2H]- 286.09217 159.9
[M]+ 265.11695 155.9
[M]- 265.11805 155.9
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.