CID 23657721

[123i]clinde

Structural Information

Molecular Formula
C19H19ClIN3O
SMILES
CCN(CC)C(=O)CC1=C(N=C2N1C=C(C=C2)Cl)C3=CC=C(C=C3)[123I]
InChI
InChI=1S/C19H19ClIN3O/c1-3-23(4-2)18(25)11-16-19(13-5-8-15(21)9-6-13)22-17-10-7-14(20)12-24(16)17/h5-10,12H,3-4,11H2,1-2H3/i21-4
InChIKey
WQISPHJSIWLWMR-PIRNEEEYSA-N
Compound name
2-[6-chloro-2-(4-(123I)iodanylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

463.02725 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.03453 194.9
[M+Na]+ 486.01647 202.3
[M+NH4]+ 481.06107 198.4
[M+K]+ 501.99041 198.5
[M-H]- 462.01997 193.0
[M+Na-2H]- 484.00192 189.6
[M]+ 463.02670 194.7
[M]- 463.02780 194.7
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