CID 24895171

L6zw2d6y49

Structural Information

Molecular Formula
C22H25ClFN3O2
SMILES
CCN(CC)C(=O)CC1=C(N=C2N1C=C(C=C2)Cl)C3=CC=C(C=C3)OCCCF
InChI
InChI=1S/C22H25ClFN3O2/c1-3-26(4-2)21(28)14-19-22(25-20-11-8-17(23)15-27(19)20)16-6-9-18(10-7-16)29-13-5-12-24/h6-11,15H,3-5,12-14H2,1-2H3
InChIKey
YFXIZOLPHFYYMF-UHFFFAOYSA-N
Compound name
2-[6-chloro-2-[4-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

21
Patents

417.16193 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.16921 200.9
[M+Na]+ 440.15115 209.6
[M-H]- 416.15465 205.9
[M+NH4]+ 435.19575 212.8
[M+K]+ 456.12509 203.2
[M+H-H2O]+ 400.15919 190.0
[M+HCOO]- 462.16013 217.1
[M+CH3COO]- 476.17578 230.6
[M+Na-2H]- 438.13660 200.6
[M]+ 417.16138 209.4
[M]- 417.16248 209.4
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