CID 5271786

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

Structural Information

Molecular Formula
C11H14FN5O2
SMILES
C1[C@H](O[C@H]([C@H]1F)N2C=CC3=C(N=C(N=C32)N)N)CO
InChI
InChI=1S/C11H14FN5O2/c12-7-3-5(4-18)19-10(7)17-2-1-6-8(13)15-11(14)16-9(6)17/h1-2,5,7,10,18H,3-4H2,(H4,13,14,15,16)/t5-,7-,10+/m0/s1
InChIKey
FREGDBROKAEEPO-YCRQMBEESA-N
Compound name
[(2S,4S,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluorooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.11316 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.12044 156.7
[M+Na]+ 290.10238 167.1
[M-H]- 266.10588 159.3
[M+NH4]+ 285.14698 171.4
[M+K]+ 306.07632 163.4
[M+H-H2O]+ 250.11042 148.1
[M+HCOO]- 312.11136 175.8
[M+CH3COO]- 326.12701 168.2
[M+Na-2H]- 288.08783 158.0
[M]+ 267.11261 154.8
[M]- 267.11371 154.8
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.