CID 503448

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

Structural Information

Molecular Formula
C21H20ClN3
SMILES
CCC(C1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)Cl)N4C=CN=C4
InChI
InChI=1S/C21H20ClN3/c1-2-20(24-12-11-23-15-24)19-14-25(21-6-4-3-5-18(19)21)13-16-7-9-17(22)10-8-16/h3-12,14-15,20H,2,13H2,1H3
InChIKey
UVZDCSMHVRCYKN-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]-3-(1-imidazol-1-ylpropyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.13458 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.14186 184.7
[M+Na]+ 372.12380 194.8
[M-H]- 348.12730 191.9
[M+NH4]+ 367.16840 199.0
[M+K]+ 388.09774 186.7
[M+H-H2O]+ 332.13184 174.1
[M+HCOO]- 394.13278 200.9
[M+CH3COO]- 408.14843 195.4
[M+Na-2H]- 370.10925 185.0
[M]+ 349.13403 189.5
[M]- 349.13513 189.5
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.