CID 495831

Nsc670001

Structural Information

Molecular Formula
C11H15N5O5
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@@H]3[C@H]([C@H]([C@@H](O3)C(CO)O)O)O)N
InChI
InChI=1S/C11H15N5O5/c12-9-5-10(14-2-13-9)16(3-15-5)11-7(20)6(19)8(21-11)4(18)1-17/h2-4,6-8,11,17-20H,1H2,(H2,12,13,14)/t4?,6-,7+,8+,11+/m1/s1
InChIKey
JNSNEXAWGVQGPR-OWAPBEDPSA-N
Compound name
(2S,3S,4R,5S)-2-(6-aminopurin-9-yl)-5-(1,2-dihydroxyethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.10733 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11461 164.1
[M+Na]+ 320.09655 172.7
[M-H]- 296.10005 163.6
[M+NH4]+ 315.14115 174.2
[M+K]+ 336.07049 170.0
[M+H-H2O]+ 280.10459 156.6
[M+HCOO]- 342.10553 177.4
[M+CH3COO]- 356.12118 173.5
[M+Na-2H]- 318.08200 164.1
[M]+ 297.10678 163.6
[M]- 297.10788 163.6
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.