CID 10205198

Chembl231557

Structural Information

Molecular Formula
C23H21BrFN5
SMILES
CC1=CC(=CN2C1=NC(=C2C3=NC(=NC=C3)NC4CCCC4)C5=CC=C(C=C5)F)Br
InChI
InChI=1S/C23H21BrFN5/c1-14-12-16(24)13-30-21(20(29-22(14)30)15-6-8-17(25)9-7-15)19-10-11-26-23(28-19)27-18-4-2-3-5-18/h6-13,18H,2-5H2,1H3,(H,26,27,28)
InChIKey
KLWNBJWBJACQJR-UHFFFAOYSA-N
Compound name
4-[6-bromo-2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

465.09644 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.10372 204.5
[M+Na]+ 488.08566 216.3
[M-H]- 464.08916 215.2
[M+NH4]+ 483.13026 215.8
[M+K]+ 504.05960 201.9
[M+H-H2O]+ 448.09370 199.5
[M+HCOO]- 510.09464 220.7
[M+CH3COO]- 524.11029 215.0
[M+Na-2H]- 486.07111 204.4
[M]+ 465.09589 221.8
[M]- 465.09699 221.8
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