CID 24944913

Unii-3w97gxi2iu

Structural Information

Molecular Formula
C22H25ClFN3O2
SMILES
CCN(CC)C(=O)CC1=C(N=C2N1C=C(C=C2)Cl)C3=CC=C(C=C3)OCCC[18F]
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/i24-1
InChIKey
YFXIZOLPHFYYMF-MIGPCILRSA-N
Compound name
2-[6-chloro-2-[4-(3-(18F)fluoranylpropoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

24
Patents

416.16446 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.17174 200.7
[M+Na]+ 439.15368 209.4
[M-H]- 415.15718 205.7
[M+NH4]+ 434.19828 212.6
[M+K]+ 455.12762 203.0
[M+H-H2O]+ 399.16172 189.8
[M+HCOO]- 461.16266 216.9
[M+CH3COO]- 475.17831 230.6
[M+Na-2H]- 437.13913 200.4
[M]+ 416.16391 209.2
[M]- 416.16501 209.2
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