CID 128919

Xaliproden

Structural Information

Molecular Formula
C24H22F3N
SMILES
C1CN(CC=C1C2=CC(=CC=C2)C(F)(F)F)CCC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C24H22F3N/c25-24(26,27)23-7-3-6-22(17-23)20-11-14-28(15-12-20)13-10-18-8-9-19-4-1-2-5-21(19)16-18/h1-9,11,16-17H,10,12-15H2
InChIKey
WJJYZXPHLSLMGE-UHFFFAOYSA-N
Compound name
1-(2-naphthalen-2-ylethyl)-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

61
References

6138
Patents

381.17044 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.17772 193.9
[M+Na]+ 404.15966 200.1
[M-H]- 380.16316 197.9
[M+NH4]+ 399.20426 204.5
[M+K]+ 420.13360 191.5
[M+H-H2O]+ 364.16770 180.1
[M+HCOO]- 426.16864 206.4
[M+CH3COO]- 440.18429 201.4
[M+Na-2H]- 402.14511 196.1
[M]+ 381.16989 187.1
[M]- 381.17099 187.1
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

patents stripe