CID 503447

1-[(4-chlorophenyl)methyl]-3-(1-imidazol-1-ylethyl)indole

Structural Information

Molecular Formula
C20H18ClN3
SMILES
CC(C1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)Cl)N4C=CN=C4
InChI
InChI=1S/C20H18ClN3/c1-15(23-11-10-22-14-23)19-13-24(20-5-3-2-4-18(19)20)12-16-6-8-17(21)9-7-16/h2-11,13-15H,12H2,1H3
InChIKey
AQLCEHNSNIPMGV-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]-3-(1-imidazol-1-ylethyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.11893 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.12621 180.2
[M+Na]+ 358.10815 190.7
[M-H]- 334.11165 187.6
[M+NH4]+ 353.15275 195.0
[M+K]+ 374.08209 182.9
[M+H-H2O]+ 318.11619 169.8
[M+HCOO]- 380.11713 196.7
[M+CH3COO]- 394.13278 191.4
[M+Na-2H]- 356.09360 181.0
[M]+ 335.11838 184.7
[M]- 335.11948 184.7
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.