CID 129080919

Dsp-2230

Structural Information

Molecular Formula
C20H20F3N5O2
SMILES
C[C@@H](C(=O)N)NCC1=NC2=C(N1C3CCC3)N=C(C=C2)OC4=CC(=C(C(=C4)F)F)F
InChI
InChI=1S/C20H20F3N5O2/c1-10(19(24)29)25-9-16-26-15-5-6-17(27-20(15)28(16)11-3-2-4-11)30-12-7-13(21)18(23)14(22)8-12/h5-8,10-11,25H,2-4,9H2,1H3,(H2,24,29)/t10-/m0/s1
InChIKey
HHXCJIMPEJSJTG-JTQLQIEISA-N
Compound name
(2S)-2-[[3-cyclobutyl-5-(3,4,5-trifluorophenoxy)imidazo[4,5-b]pyridin-2-yl]methylamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

419.15692 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.16420 201.2
[M+Na]+ 442.14614 206.0
[M+NH4]+ 437.19074 200.6
[M+K]+ 458.12008 203.9
[M-H]- 418.14964 198.1
[M+Na-2H]- 440.13159 201.5
[M]+ 419.15637 199.4
[M]- 419.15747 199.4
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