CID 466033

1-(4-fluorophenyl)-2-imidazol-1-yl-n-[(4-phenylphenyl)methyl]ethanamine

Structural Information

Molecular Formula
C24H22FN3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)CNC(CN3C=CN=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C24H22FN3/c25-23-12-10-22(11-13-23)24(17-28-15-14-26-18-28)27-16-19-6-8-21(9-7-19)20-4-2-1-3-5-20/h1-15,18,24,27H,16-17H2
InChIKey
PAXCRIUPAVWWEE-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-2-imidazol-1-yl-N-[(4-phenylphenyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.17978 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.18706 188.7
[M+Na]+ 394.16900 193.9
[M-H]- 370.17250 196.8
[M+NH4]+ 389.21360 198.3
[M+K]+ 410.14294 186.0
[M+H-H2O]+ 354.17704 175.7
[M+HCOO]- 416.17798 209.1
[M+CH3COO]- 430.19363 197.4
[M+Na-2H]- 392.15445 190.7
[M]+ 371.17923 186.0
[M]- 371.18033 186.0
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.