CID 3055692

Brn 5658528

Structural Information

Molecular Formula
C16H15FN6O4
SMILES
C1=CC(=CC=C1NC(=O)[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)F
InChI
InChI=1S/C16H15FN6O4/c17-7-1-3-8(4-2-7)22-15(26)12-10(24)11(25)16(27-12)23-6-21-9-13(18)19-5-20-14(9)23/h1-6,10-12,16,24-25H,(H,22,26)(H2,18,19,20)/t10-,11+,12-,16+/m0/s1
InChIKey
JYLOVTHDLKSJCE-MEQWQQMJSA-N
Compound name
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-(4-fluorophenyl)-3,4-dihydroxyoxolane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1139 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.12118 181.8
[M+Na]+ 397.10312 190.9
[M-H]- 373.10662 186.2
[M+NH4]+ 392.14772 189.7
[M+K]+ 413.07706 186.5
[M+H-H2O]+ 357.11116 171.8
[M+HCOO]- 419.11210 197.8
[M+CH3COO]- 433.12775 190.9
[M+Na-2H]- 395.08857 181.8
[M]+ 374.11335 180.9
[M]- 374.11445 180.9
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.