CID 503461

Chembl452788

Structural Information

Molecular Formula
C21H20FN3
SMILES
CC1=C(C2=CC=CC=C2N1CC3=CC=C(C=C3)F)C(C)N4C=CN=C4
InChI
InChI=1S/C21H20FN3/c1-15(24-12-11-23-14-24)21-16(2)25(20-6-4-3-5-19(20)21)13-17-7-9-18(22)10-8-17/h3-12,14-15H,13H2,1-2H3
InChIKey
ZSJJFARPZVXXQF-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]-3-(1-imidazol-1-ylethyl)-2-methylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

333.16412 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.17140 179.7
[M+Na]+ 356.15334 190.2
[M-H]- 332.15684 186.5
[M+NH4]+ 351.19794 194.2
[M+K]+ 372.12728 183.0
[M+H-H2O]+ 316.16138 168.9
[M+HCOO]- 378.16232 199.8
[M+CH3COO]- 392.17797 190.9
[M+Na-2H]- 354.13879 179.5
[M]+ 333.16357 182.0
[M]- 333.16467 182.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.