CID 10203733

Chembl396279

Structural Information

Molecular Formula
C22H18Cl2FN5
SMILES
C1CCC(C1)NC2=NC=CC(=N2)C3=C(N=C4N3C=C(C=C4Cl)Cl)C5=CC=C(C=C5)F
InChI
InChI=1S/C22H18Cl2FN5/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
QEUYKZFRAGXCJT-UHFFFAOYSA-N
Compound name
N-cyclopentyl-4-[6,8-dichloro-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

10
Patents

441.09232 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.09960 202.6
[M+Na]+ 464.08154 213.6
[M-H]- 440.08504 209.6
[M+NH4]+ 459.12614 211.8
[M+K]+ 480.05548 203.5
[M+H-H2O]+ 424.08958 189.1
[M+HCOO]- 486.09052 210.9
[M+CH3COO]- 500.10617 210.8
[M+Na-2H]- 462.06699 200.5
[M]+ 441.09177 204.6
[M]- 441.09287 204.6
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