CID 135480590

[(1s,2s)-2-[(2-amino-6-chloro-purin-1-yl)methyl]-2-fluoro-cyclopropyl]methanol

Structural Information

Molecular Formula
C10H11ClFN5O
SMILES
C1[C@H]([C@@]1(CN2C(=C3C(=NC2=N)N=CN3)Cl)F)CO
InChI
InChI=1S/C10H11ClFN5O/c11-7-6-8(15-4-14-6)16-9(13)17(7)3-10(12)1-5(10)2-18/h4-5,18H,1-3H2,(H2,13,14,15,16)/t5-,10+/m0/s1
InChIKey
BLXGTJHFISVVDG-XUOSJQGZSA-N
Compound name
[(1S,2S)-2-[(6-chloro-2-imino-7H-purin-1-yl)methyl]-2-fluorocyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.06363 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.07091 160.8
[M+Na]+ 294.05285 175.2
[M-H]- 270.05635 161.0
[M+NH4]+ 289.09745 171.6
[M+K]+ 310.02679 166.1
[M+H-H2O]+ 254.06089 152.9
[M+HCOO]- 316.06183 174.6
[M+CH3COO]- 330.07748 171.4
[M+Na-2H]- 292.03830 165.9
[M]+ 271.06308 163.9
[M]- 271.06418 163.9
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.