CID 3024619

1,2,3,4-tetrahydro-6-methoxy-2-phenyl-1-(3-(trifluoromethyl)phenyl)isoquinoline

Structural Information

Molecular Formula
C23H20F3NO
SMILES
COC1=CC2=C(C=C1)C(N(CC2)C3=CC=CC=C3)C4=CC(=CC=C4)C(F)(F)F
InChI
InChI=1S/C23H20F3NO/c1-28-20-10-11-21-16(15-20)12-13-27(19-8-3-2-4-9-19)22(21)17-6-5-7-18(14-17)23(24,25)26/h2-11,14-15,22H,12-13H2,1H3
InChIKey
CRGSEZGTSABFPT-UHFFFAOYSA-N
Compound name
6-methoxy-2-phenyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1497 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.15698 193.4
[M+Na]+ 406.13892 200.9
[M-H]- 382.14242 198.0
[M+NH4]+ 401.18352 204.2
[M+K]+ 422.11286 193.3
[M+H-H2O]+ 366.14696 179.9
[M+HCOO]- 428.14790 206.5
[M+CH3COO]- 442.16355 201.6
[M+Na-2H]- 404.12437 195.6
[M]+ 383.14915 188.1
[M]- 383.15025 188.1
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.