CID 135415578

(2r,3r,4r,5r)-5-[2-amino-6-(cyclopropylamino)-4,5-dihydropurin-9-yl]-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol

Structural Information

Molecular Formula
C13H19FN6O3
SMILES
C1CC1N=C2C3C(N=C(N2)N)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)F
InChI
InChI=1S/C13H19FN6O3/c14-7-9(22)6(3-21)23-12(7)20-4-16-8-10(17-5-1-2-5)18-13(15)19-11(8)20/h4-9,11-12,21-22H,1-3H2,(H3,15,17,18,19)/t6-,7-,8?,9-,11?,12-/m1/s1
InChIKey
GBZQHHJSJIVBAT-NRSJIFRMSA-N
Compound name
(2R,3R,4R,5R)-5-(2-amino-6-cyclopropylimino-4,5-dihydro-1H-purin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.15027 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15755 177.1
[M+Na]+ 349.13949 186.2
[M-H]- 325.14299 180.1
[M+NH4]+ 344.18409 182.8
[M+K]+ 365.11343 179.1
[M+H-H2O]+ 309.14753 168.7
[M+HCOO]- 371.14847 189.4
[M+CH3COO]- 385.16412 185.0
[M+Na-2H]- 347.12494 174.4
[M]+ 326.14972 174.0
[M]- 326.15082 174.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.