CID 6603782

Cb 34

Structural Information

Molecular Formula
C21H22Cl3N3O
SMILES
CCCN(CCC)C(=O)CC1=C(N=C2N1C=C(C=C2Cl)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H22Cl3N3O/c1-3-9-26(10-4-2)19(28)12-18-20(14-5-7-15(22)8-6-14)25-21-17(24)11-16(23)13-27(18)21/h5-8,11,13H,3-4,9-10,12H2,1-2H3
InChIKey
QYVWBXJKZUCSNI-UHFFFAOYSA-N
Compound name
2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

26
Patents

437.08286 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.09014 202.7
[M+Na]+ 460.07208 213.0
[M-H]- 436.07558 207.2
[M+NH4]+ 455.11668 214.7
[M+K]+ 476.04602 205.1
[M+H-H2O]+ 420.08012 193.9
[M+HCOO]- 482.08106 209.3
[M+CH3COO]- 496.09671 232.0
[M+Na-2H]- 458.05753 200.7
[M]+ 437.08231 212.0
[M]- 437.08341 212.0
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