CID 452096

2-cf3-dda

Structural Information

Molecular Formula
C11H12F3N5O2
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=NC3=C(N=C(N=C32)C(F)(F)F)N
InChI
InChI=1S/C11H12F3N5O2/c12-11(13,14)10-17-8(15)7-9(18-10)19(4-16-7)6-2-1-5(3-20)21-6/h4-6,20H,1-3H2,(H2,15,17,18)/t5-,6+/m0/s1
InChIKey
HFTHCPWQUGSNNL-NTSWFWBYSA-N
Compound name
[(2S,5R)-5-[6-amino-2-(trifluoromethyl)purin-9-yl]oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

303.0943 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10158 163.5
[M+Na]+ 326.08352 174.3
[M-H]- 302.08702 162.6
[M+NH4]+ 321.12812 175.7
[M+K]+ 342.05746 170.5
[M+H-H2O]+ 286.09156 153.1
[M+HCOO]- 348.09250 177.1
[M+CH3COO]- 362.10815 173.7
[M+Na-2H]- 324.06897 165.4
[M]+ 303.09375 160.6
[M]- 303.09485 160.6
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

patents stripe