CID 490621

405231-00-7

Structural Information

Molecular Formula
C11H13FN4O4
SMILES
C1=C2C(=C(N=C1F)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H13FN4O4/c12-6-1-4-7(10(13)15-6)14-3-16(4)11-9(19)8(18)5(2-17)20-11/h1,3,5,8-9,11,17-19H,2H2,(H2,13,15)/t5-,8-,9-,11-/m1/s1
InChIKey
ACCJTTPICUECTB-MGUDNFKCSA-N
Compound name
(2R,3R,4S,5R)-2-(4-amino-6-fluoroimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

284.09207 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09935 159.8
[M+Na]+ 307.08129 170.6
[M-H]- 283.08479 160.7
[M+NH4]+ 302.12589 173.1
[M+K]+ 323.05523 166.9
[M+H-H2O]+ 267.08933 152.2
[M+HCOO]- 329.09027 175.8
[M+CH3COO]- 343.10592 170.8
[M+Na-2H]- 305.06674 160.1
[M]+ 284.09152 159.2
[M]- 284.09262 159.2
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