CID 451522

Fmadda

Structural Information

Molecular Formula
C11H14FN5O2
SMILES
CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@H](C[C@H](O3)CO)F
InChI
InChI=1S/C11H14FN5O2/c1-13-9-8-10(15-4-14-9)17(5-16-8)11-7(12)2-6(3-18)19-11/h4-7,11,18H,2-3H2,1H3,(H,13,14,15)/t6-,7-,11+/m0/s1
InChIKey
BBUZAEMTTVCRAD-OKTBNZSVSA-N
Compound name
[(2S,4S,5R)-4-fluoro-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

10
Patents

267.11316 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.12044 156.9
[M+Na]+ 290.10238 167.3
[M-H]- 266.10588 158.7
[M+NH4]+ 285.14698 170.8
[M+K]+ 306.07632 164.1
[M+H-H2O]+ 250.11042 147.5
[M+HCOO]- 312.11136 174.9
[M+CH3COO]- 326.12701 168.4
[M+Na-2H]- 288.08783 159.8
[M]+ 267.11261 157.6
[M]- 267.11371 157.6
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

patents stripe