CID 3024622

96719-62-9

Structural Information

Molecular Formula
C22H20FNO
SMILES
COC1=CC2=C(C=C1)C(N(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H20FNO/c1-25-20-11-12-21-17(15-20)13-14-24(19-5-3-2-4-6-19)22(21)16-7-9-18(23)10-8-16/h2-12,15,22H,13-14H2,1H3
InChIKey
HMALRTIODVSZQS-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.1529 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.16018 182.5
[M+Na]+ 356.14212 199.6
[M+NH4]+ 351.18672 191.9
[M+K]+ 372.11606 188.8
[M-H]- 332.14562 189.3
[M+Na-2H]- 354.12757 192.9
[M]+ 333.15235 187.2
[M]- 333.15345 187.2
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.