CID 511763

[(2r,5r)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-fluoro-tetrahydrofuran-2-yl]methanol

Structural Information

Molecular Formula
C11H13FN4O2
SMILES
C1[C@@H](O[C@@H](C1F)CO)N2C=CC3=C(N=CN=C32)N
InChI
InChI=1S/C11H13FN4O2/c12-7-3-9(18-8(7)4-17)16-2-1-6-10(13)14-5-15-11(6)16/h1-2,5,7-9,17H,3-4H2,(H2,13,14,15)/t7?,8-,9-/m1/s1
InChIKey
CFKCKBZGNLRNEJ-CFCGPWAMSA-N
Compound name
[(2R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-fluorooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.10225 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10953 152.5
[M+Na]+ 275.09147 162.9
[M-H]- 251.09497 155.2
[M+NH4]+ 270.13607 168.1
[M+K]+ 291.06541 159.6
[M+H-H2O]+ 235.09951 144.0
[M+HCOO]- 297.10045 171.3
[M+CH3COO]- 311.11610 164.5
[M+Na-2H]- 273.07692 154.8
[M]+ 252.10170 151.8
[M]- 252.10280 151.8
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.