CID 4368993

Pd007027

Structural Information

Molecular Formula
C10H14N4O5
SMILES
C1=N[C@H](C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C10H14N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,9-10,15-18H,1H2,(H,11,12)/t4-,6-,7-,9+,10-/m1/s1
InChIKey
WGRXVKRHIMUTPD-YOHZANMFSA-N
Compound name
(2R,3R,4S,5R)-2-[(6S)-6-hydroxy-3,6-dihydropurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0964 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10368 159.8
[M+Na]+ 293.08562 167.8
[M-H]- 269.08912 157.5
[M+NH4]+ 288.13022 170.8
[M+K]+ 309.05956 164.5
[M+H-H2O]+ 253.09366 152.9
[M+HCOO]- 315.09460 169.6
[M+CH3COO]- 329.11025 168.8
[M+Na-2H]- 291.07107 159.1
[M]+ 270.09585 156.6
[M]- 270.09695 156.6
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.