CID 452021

132722-91-9

Structural Information

Molecular Formula
C11H14FN5O2
SMILES
CC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@H](C[C@H](O3)CO)F)N
InChI
InChI=1S/C11H14FN5O2/c1-5-15-9(13)8-10(16-5)17(4-14-8)11-7(12)2-6(3-18)19-11/h4,6-7,11,18H,2-3H2,1H3,(H2,13,15,16)/t6-,7-,11+/m0/s1
InChIKey
VLWUFDZACUOMPE-OKTBNZSVSA-N
Compound name
[(2S,4S,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluorooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

267.11316 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.12044 158.5
[M+Na]+ 290.10238 169.8
[M-H]- 266.10588 160.3
[M+NH4]+ 285.14698 172.4
[M+K]+ 306.07632 166.2
[M+H-H2O]+ 250.11042 149.5
[M+HCOO]- 312.11136 175.8
[M+CH3COO]- 326.12701 170.0
[M+Na-2H]- 288.08783 159.7
[M]+ 267.11261 158.7
[M]- 267.11371 158.7
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.