CID 466432

N^6-cyclopropyl-9-(2-deoxy-2-fluoro-beta-l-arabinofuranosyl)-9h-purine

Structural Information

Molecular Formula
C13H16FN5O3
SMILES
C1CC1NC2=C3C(=NC=N2)N(C=N3)[C@@H]4[C@@H]([C@H]([C@@H](O4)CO)O)F
InChI
InChI=1S/C13H16FN5O3/c14-8-10(21)7(3-20)22-13(8)19-5-17-9-11(18-6-1-2-6)15-4-16-12(9)19/h4-8,10,13,20-21H,1-3H2,(H,15,16,18)/t7-,8+,10-,13-/m0/s1
InChIKey
CNJKNVBDLYNJIR-JZSPKSLRSA-N
Compound name
(2S,3S,4R,5S)-5-[6-(cyclopropylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.12372 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.13100 171.0
[M+Na]+ 332.11294 182.6
[M-H]- 308.11644 175.1
[M+NH4]+ 327.15754 177.9
[M+K]+ 348.08688 176.1
[M+H-H2O]+ 292.12098 162.3
[M+HCOO]- 354.12192 187.1
[M+CH3COO]- 368.13757 180.9
[M+Na-2H]- 330.09839 171.7
[M]+ 309.12317 173.5
[M]- 309.12427 173.5
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.