CID 3024732

97106-80-4

Structural Information

Molecular Formula
C22H20FNO
SMILES
COC1=CC2=C(C=C1)C(N(CC2)C3=CC=CC=C3)C4=CC=CC=C4F
InChI
InChI=1S/C22H20FNO/c1-25-18-11-12-19-16(15-18)13-14-24(17-7-3-2-4-8-17)22(19)20-9-5-6-10-21(20)23/h2-12,15,22H,13-14H2,1H3
InChIKey
CLDQEJBTSNAYIU-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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]+ 334.160176 180.7
[M+Na]+ 356.142118 188.0
[M-H]- 332.145624 188.0
[M+NH4]+ 351.186723 193.5
[M+K]+ 372.116058 181.1
[M+H-H2O]+ 316.150160 168.9
[M+HCOO]- 378.151101 198.0
[M+CH3COO]- 392.166751 190.5
[M+Na-2H]- 354.127566 184.0
[M]+ 333.15235142 177.7
[M]- 333.15344858 177.7
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

No patent data available for this compound.