CID 503455

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

Structural Information

Molecular Formula
C20H18FN3
SMILES
CC(C1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)F)N4C=CN=C4
InChI
InChI=1S/C20H18FN3/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
NOYIDBHDYDBPEW-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]-3-(1-imidazol-1-ylethyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.14847 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.15575 174.7
[M+Na]+ 342.13769 184.6
[M-H]- 318.14119 181.2
[M+NH4]+ 337.18229 189.4
[M+K]+ 358.11163 177.8
[M+H-H2O]+ 302.14573 163.7
[M+HCOO]- 364.14667 195.1
[M+CH3COO]- 378.16232 185.9
[M+Na-2H]- 340.12314 175.7
[M]+ 319.14792 176.2
[M]- 319.14902 176.2
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.