CID 3055691

Brn 5650652

Structural Information

Molecular Formula
C16H16N6O4
SMILES
C1=CC=C(C=C1)NC(=O)[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O
InChI
InChI=1S/C16H16N6O4/c17-13-9-14(19-6-18-13)22(7-20-9)16-11(24)10(23)12(26-16)15(25)21-8-4-2-1-3-5-8/h1-7,10-12,16,23-24H,(H,21,25)(H2,17,18,19)/t10-,11+,12-,16+/m0/s1
InChIKey
OQPLGCWKNRTQLV-MEQWQQMJSA-N
Compound name
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-phenyloxolane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.1233 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13058 177.9
[M+Na]+ 379.11252 186.1
[M-H]- 355.11602 183.3
[M+NH4]+ 374.15712 186.3
[M+K]+ 395.08646 182.3
[M+H-H2O]+ 339.12056 168.6
[M+HCOO]- 401.12150 195.0
[M+CH3COO]- 415.13715 187.3
[M+Na-2H]- 377.09797 179.3
[M]+ 356.12275 177.5
[M]- 356.12385 177.5
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.