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

literature stripe

Patent stripe

patents stripe