CID 3044190

Brn 0706110

Structural Information

Molecular Formula
C18H15F3N2O
SMILES
C1CN2C(=N1)C3=CC=CC=C3CC2(C4=CC(=CC=C4)C(F)(F)F)O
InChI
InChI=1S/C18H15F3N2O/c19-18(20,21)14-6-3-5-13(10-14)17(24)11-12-4-1-2-7-15(12)16-22-8-9-23(16)17/h1-7,10,24H,8-9,11H2
InChIKey
YFHNWKNJTLUVAM-UHFFFAOYSA-N
Compound name
5-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

332.11365 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.12093 175.0
[M+Na]+ 355.10287 185.5
[M+NH4]+ 350.14747 182.4
[M+K]+ 371.07681 178.7
[M-H]- 331.10637 173.8
[M+Na-2H]- 353.08832 180.4
[M]+ 332.11310 176.1
[M]- 332.11420 176.1
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