CID 9819926

Kk74jh2jtt

Structural Information

Molecular Formula
C15H20FN5O4
SMILES
C1COCCC1NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CF)O)O
InChI
InChI=1S/C15H20FN5O4/c16-5-9-11(22)12(23)15(25-9)21-7-19-10-13(17-6-18-14(10)21)20-8-1-3-24-4-2-8/h6-9,11-12,15,22-23H,1-5H2,(H,17,18,20)/t9-,11-,12-,15-/m1/s1
InChIKey
LESLGDYUXNSVSS-SDBHATRESA-N
Compound name
(2S,3S,4R,5R)-2-(fluoromethyl)-5-[6-(oxan-4-ylamino)purin-9-yl]oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

353.14993 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.15721 178.5
[M+Na]+ 376.13915 185.5
[M-H]- 352.14265 182.0
[M+NH4]+ 371.18375 186.1
[M+K]+ 392.11309 182.6
[M+H-H2O]+ 336.14719 168.4
[M+HCOO]- 398.14813 189.9
[M+CH3COO]- 412.16378 186.9
[M+Na-2H]- 374.12460 177.8
[M]+ 353.14938 176.1
[M]- 353.15048 176.1
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