CID 503471

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

Structural Information

Molecular Formula
C23H23BrClN3
SMILES
CCCCC(C1=CN(C2=C1C=C(C=C2)Br)CC3=CC=C(C=C3)Cl)N4C=CN=C4
InChI
InChI=1S/C23H23BrClN3/c1-2-3-4-22(27-12-11-26-16-27)21-15-28(14-17-5-8-19(25)9-6-17)23-10-7-18(24)13-20(21)23/h5-13,15-16,22H,2-4,14H2,1H3
InChIKey
MPGDMVRWSWGYFZ-UHFFFAOYSA-N
Compound name
5-bromo-1-[(4-chlorophenyl)methyl]-3-(1-imidazol-1-ylpentyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

455.0764 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.08368 204.4
[M+Na]+ 478.06562 217.3
[M-H]- 454.06912 214.1
[M+NH4]+ 473.11022 218.9
[M+K]+ 494.03956 202.3
[M+H-H2O]+ 438.07366 201.3
[M+HCOO]- 500.07460 218.1
[M+CH3COO]- 514.09025 215.9
[M+Na-2H]- 476.05107 204.1
[M]+ 455.07585 228.4
[M]- 455.07695 228.4
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

No patent data available for this compound.