CID 10165406

Chembl396541

Structural Information

Molecular Formula
C22H18Br2FN5
SMILES
C1CCC(C1)NC2=NC=CC(=N2)C3=C(N=C4N3C=C(C=C4Br)Br)C5=CC=C(C=C5)F
InChI
InChI=1S/C22H18Br2FN5/c23-14-11-17(24)21-29-19(13-5-7-15(25)8-6-13)20(30(21)12-14)18-9-10-26-22(28-18)27-16-3-1-2-4-16/h5-12,16H,1-4H2,(H,26,27,28)
InChIKey
CEYKJBAJFUSKPH-UHFFFAOYSA-N
Compound name
N-cyclopentyl-4-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

528.9913 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.99858 195.8
[M+Na]+ 551.98052 206.0
[M-H]- 527.98402 206.2
[M+NH4]+ 547.02512 206.7
[M+K]+ 567.95446 190.5
[M+H-H2O]+ 511.98856 201.1
[M+HCOO]- 573.98950 208.2
[M+CH3COO]- 588.00515 205.9
[M+Na-2H]- 549.96597 196.8
[M]+ 528.99075 228.3
[M]- 528.99185 228.3
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