CID 490626

Schembl6308436

Structural Information

Molecular Formula
C11H12F2N4O4
SMILES
C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C(=NC(=C2F)F)N
InChI
InChI=1S/C11H12F2N4O4/c12-4-5-6(10(14)16-9(4)13)17(2-15-5)11-8(20)7(19)3(1-18)21-11/h2-3,7-8,11,18-20H,1H2,(H2,14,16)/t3-,7-,8-,11-/m1/s1
InChIKey
CFMGDDHVLHZCSX-ZUHFKWOFSA-N
Compound name
(2R,3R,4S,5R)-2-(4-amino-6,7-difluoroimidazo[4,5-c]pyridin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

302.08267 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08995 163.0
[M+Na]+ 325.07189 174.7
[M-H]- 301.07539 162.9
[M+NH4]+ 320.11649 175.8
[M+K]+ 341.04583 170.5
[M+H-H2O]+ 285.07993 154.8
[M+HCOO]- 347.08087 177.9
[M+CH3COO]- 361.09652 199.7
[M+Na-2H]- 323.05734 162.1
[M]+ 302.08212 161.8
[M]- 302.08322 161.8
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