CID 24795070

Sgi-1776

Structural Information

Molecular Formula
C20H22F3N5O
SMILES
CN1CCC(CC1)CNC2=NN3C(=NC=C3C4=CC(=CC=C4)OC(F)(F)F)C=C2
InChI
InChI=1S/C20H22F3N5O/c1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23/h2-6,11,13-14H,7-10,12H2,1H3,(H,24,26)
InChIKey
MHXGEROHKGDZGO-UHFFFAOYSA-N
Compound name
N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

66
References

555
Patents

405.17764 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.18492 195.9
[M+Na]+ 428.16686 203.6
[M-H]- 404.17036 197.4
[M+NH4]+ 423.21146 203.4
[M+K]+ 444.14080 196.0
[M+H-H2O]+ 388.17490 181.4
[M+HCOO]- 450.17584 208.0
[M+CH3COO]- 464.19149 203.0
[M+Na-2H]- 426.15231 197.9
[M]+ 405.17709 191.8
[M]- 405.17819 191.8
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