CID 72695720

Imidazo[1,2-b]pyridazine derivative 1

Structural Information

Molecular Formula
C24H24FN5O
SMILES
C[C@H](C1=CC(=CC=C1)F)NC2=NN3C(=NC=C3C4=CC=C(C=C4)OC[C@@H]5CCN5)C=C2
InChI
InChI=1S/C24H24FN5O/c1-16(18-3-2-4-19(25)13-18)28-23-9-10-24-27-14-22(30(24)29-23)17-5-7-21(8-6-17)31-15-20-11-12-26-20/h2-10,13-14,16,20,26H,11-12,15H2,1H3,(H,28,29)/t16-,20+/m1/s1
InChIKey
FQCGOBGLJQWKJA-UZLBHIALSA-N
Compound name
3-[4-[[(2S)-azetidin-2-yl]methoxy]phenyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

417.1965 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.20378 198.9
[M+Na]+ 440.18572 209.0
[M+NH4]+ 435.23032 201.0
[M+K]+ 456.15966 204.4
[M-H]- 416.18922 201.0
[M+Na-2H]- 438.17117 205.3
[M]+ 417.19595 199.7
[M]- 417.19705 199.7
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