CID 66598080

Tp-3654

Structural Information

Molecular Formula
C22H25F3N4O
SMILES
CC(C)(C1CCC(CC1)NC2=NN3C(=NC=C3C4=CC(=CC=C4)C(F)(F)F)C=C2)O
InChI
InChI=1S/C22H25F3N4O/c1-21(2,30)15-6-8-17(9-7-15)27-19-10-11-20-26-13-18(29(20)28-19)14-4-3-5-16(12-14)22(23,24)25/h3-5,10-13,15,17,30H,6-9H2,1-2H3,(H,27,28)
InChIKey
XRNVABDYQLHODA-UHFFFAOYSA-N
Compound name
2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

50
Patents

418.19806 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.20534 196.6
[M+Na]+ 441.18728 205.5
[M+NH4]+ 436.23188 200.5
[M+K]+ 457.16122 201.8
[M-H]- 417.19078 195.8
[M+Na-2H]- 439.17273 201.4
[M]+ 418.19751 197.4
[M]- 418.19861 197.4
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