CID 503470

5-bromo-1-[(4-chlorophenyl)methyl]-3-(1-imidazol-1-ylbutyl)indole

Structural Information

Molecular Formula
C22H21BrClN3
SMILES
CCCC(C1=CN(C2=C1C=C(C=C2)Br)CC3=CC=C(C=C3)Cl)N4C=CN=C4
InChI
InChI=1S/C22H21BrClN3/c1-2-3-21(26-11-10-25-15-26)20-14-27(13-16-4-7-18(24)8-5-16)22-9-6-17(23)12-19(20)22/h4-12,14-15,21H,2-3,13H2,1H3
InChIKey
CNOPOFJHRYKWEB-UHFFFAOYSA-N
Compound name
5-bromo-1-[(4-chlorophenyl)methyl]-3-(1-imidazol-1-ylbutyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

441.06073 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.06801 199.9
[M+Na]+ 464.04995 213.2
[M-H]- 440.05345 209.8
[M+NH4]+ 459.09455 215.0
[M+K]+ 480.02389 198.5
[M+H-H2O]+ 424.05799 197.1
[M+HCOO]- 486.05893 214.0
[M+CH3COO]- 500.07458 211.8
[M+Na-2H]- 462.03540 200.2
[M]+ 441.06018 223.7
[M]- 441.06128 223.7
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

No patent data available for this compound.