CID 15954589

Chembl231458

Structural Information

Molecular Formula
C22H19BrFN5
SMILES
C1CCC(C1)NC2=NC=CC(=N2)C3=C(N=C4N3C=C(C=C4)Br)C5=CC=C(C=C5)F
InChI
InChI=1S/C22H19BrFN5/c23-15-7-10-19-28-20(14-5-8-16(24)9-6-14)21(29(19)13-15)18-11-12-25-22(27-18)26-17-3-1-2-4-17/h5-13,17H,1-4H2,(H,25,26,27)
InChIKey
QDFWKBAGOVAQKX-UHFFFAOYSA-N
Compound name
4-[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

451.08078 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.08806 199.0
[M+Na]+ 474.07000 210.4
[M-H]- 450.07350 209.5
[M+NH4]+ 469.11460 210.6
[M+K]+ 490.04394 196.2
[M+H-H2O]+ 434.07804 194.0
[M+HCOO]- 496.07898 215.6
[M+CH3COO]- 510.09463 209.6
[M+Na-2H]- 472.05545 200.2
[M]+ 451.08023 215.6
[M]- 451.08133 215.6
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