CID 9969570

Chembl397911

Structural Information

Molecular Formula
C22H20FN5
SMILES
C1CCC(C1)NC2=NC=CC(=N2)C3=C(N=C4N3C=CC=C4)C5=CC=C(C=C5)F
InChI
InChI=1S/C22H20FN5/c23-16-10-8-15(9-11-16)20-21(28-14-4-3-7-19(28)27-20)18-12-13-24-22(26-18)25-17-5-1-2-6-17/h3-4,7-14,17H,1-2,5-6H2,(H,24,25,26)
InChIKey
LFAOAOFMOZLDCM-UHFFFAOYSA-N
Compound name
N-cyclopentyl-4-[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

373.1703 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.17758 185.6
[M+Na]+ 396.15952 194.1
[M-H]- 372.16302 193.6
[M+NH4]+ 391.20412 195.9
[M+K]+ 412.13346 185.7
[M+H-H2O]+ 356.16756 172.4
[M+HCOO]- 418.16850 204.2
[M+CH3COO]- 432.18415 194.9
[M+Na-2H]- 394.14497 186.8
[M]+ 373.16975 183.4
[M]- 373.17085 183.4
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