CID 503459

1-[(2,4-dichlorophenyl)methyl]-3-(1-imidazol-1-ylethyl)indole

Structural Information

Molecular Formula
C20H17Cl2N3
SMILES
CC(C1=CN(C2=CC=CC=C21)CC3=C(C=C(C=C3)Cl)Cl)N4C=CN=C4
InChI
InChI=1S/C20H17Cl2N3/c1-14(24-9-8-23-13-24)18-12-25(20-5-3-2-4-17(18)20)11-15-6-7-16(21)10-19(15)22/h2-10,12-14H,11H2,1H3
InChIKey
GSEOLAKSLTZGMG-UHFFFAOYSA-N
Compound name
1-[(2,4-dichlorophenyl)methyl]-3-(1-imidazol-1-ylethyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.07996 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.08724 187.6
[M+Na]+ 392.06918 199.2
[M-H]- 368.07268 194.3
[M+NH4]+ 387.11378 201.7
[M+K]+ 408.04312 190.5
[M+H-H2O]+ 352.07722 177.2
[M+HCOO]- 414.07816 198.7
[M+CH3COO]- 428.09381 198.1
[M+Na-2H]- 390.05463 186.7
[M]+ 369.07941 193.5
[M]- 369.08051 193.5
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.