CID 503460

Chembl452787

Structural Information

Molecular Formula
C20H18FN3
SMILES
CC1=C(C2=CC=CC=C2N1CC3=CC=C(C=C3)F)CN4C=CN=C4
InChI
InChI=1S/C20H18FN3/c1-15-19(13-23-11-10-22-14-23)18-4-2-3-5-20(18)24(15)12-16-6-8-17(21)9-7-16/h2-11,14H,12-13H2,1H3
InChIKey
TWLOLQYTYISAJI-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]-3-(imidazol-1-ylmethyl)-2-methylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
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 175.0
[M+Na]+ 342.13769 186.3
[M-H]- 318.14119 181.8
[M+NH4]+ 337.18229 190.1
[M+K]+ 358.11163 178.8
[M+H-H2O]+ 302.14573 164.1
[M+HCOO]- 364.14667 196.4
[M+CH3COO]- 378.16232 186.7
[M+Na-2H]- 340.12314 176.4
[M]+ 319.14792 177.5
[M]- 319.14902 177.5
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.