CID 454248

2am6fpur-ddisonucl

Structural Information

Molecular Formula
C10H12FN5O2
SMILES
C1[C@H](CO[C@H]1CO)N2C=NC3=C2N=C(N=C3F)N
InChI
InChI=1S/C10H12FN5O2/c11-8-7-9(15-10(12)14-8)16(4-13-7)5-1-6(2-17)18-3-5/h4-6,17H,1-3H2,(H2,12,14,15)/t5-,6-/m1/s1
InChIKey
XGQCSPKGZQUANP-PHDIDXHHSA-N
Compound name
[(2R,4R)-4-(2-amino-6-fluoropurin-9-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

253.0975 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.10478 152.7
[M+Na]+ 276.08672 163.6
[M-H]- 252.09022 154.2
[M+NH4]+ 271.13132 166.9
[M+K]+ 292.06066 160.3
[M+H-H2O]+ 236.09476 143.5
[M+HCOO]- 298.09570 170.4
[M+CH3COO]- 312.11135 164.4
[M+Na-2H]- 274.07217 155.2
[M]+ 253.09695 152.2
[M]- 253.09805 152.2
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.