CID 9842945

Ssr-150106

Structural Information

Molecular Formula
C23H21F3N2
SMILES
C1CN(CC=C1C2=CC(=CC=C2)C(F)(F)F)CCC3=CC4=C(C=C3)C=CN=C4
InChI
InChI=1S/C23H21F3N2/c24-23(25,26)22-3-1-2-20(15-22)19-8-12-28(13-9-19)11-7-17-4-5-18-6-10-27-16-21(18)14-17/h1-6,8,10,14-16H,7,9,11-13H2
InChIKey
ZXXHOPNSTZKWRI-UHFFFAOYSA-N
Compound name
7-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoquinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

108
Patents

382.16568 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.17296 194.4
[M+Na]+ 405.15490 201.0
[M-H]- 381.15840 197.1
[M+NH4]+ 400.19950 203.5
[M+K]+ 421.12884 192.3
[M+H-H2O]+ 365.16294 179.8
[M+HCOO]- 427.16388 205.8
[M+CH3COO]- 441.17953 201.5
[M+Na-2H]- 403.14035 197.2
[M]+ 382.16513 187.7
[M]- 382.16623 187.7
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

patents stripe