CID 5270783

Chembl161436

Structural Information

Molecular Formula
C12H14ClF3N4O2
SMILES
C1=C2C(=NC(=C1Cl)N)N(C(=N2)C(F)(F)F)CCC(CO)CO
InChI
InChI=1S/C12H14ClF3N4O2/c13-7-3-8-10(19-9(7)17)20(2-1-6(4-21)5-22)11(18-8)12(14,15)16/h3,6,21-22H,1-2,4-5H2,(H2,17,19)
InChIKey
BURBBSHNDPOMJT-UHFFFAOYSA-N
Compound name
2-[2-[5-amino-6-chloro-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.07574 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.08302 170.9
[M+Na]+ 361.06496 181.9
[M-H]- 337.06846 165.6
[M+NH4]+ 356.10956 183.1
[M+K]+ 377.03890 175.2
[M+H-H2O]+ 321.07300 161.7
[M+HCOO]- 383.07394 179.9
[M+CH3COO]- 397.08959 206.3
[M+Na-2H]- 359.05041 172.4
[M]+ 338.07519 170.8
[M]- 338.07629 170.8
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.