CID 13467513

(+-)-1,2,3,4-tetrahydro-1-(3-fluorophenyl)-6-methoxy-2-phenylisoquinoline

Structural Information

Molecular Formula
C22H20FNO
SMILES
COC1=CC2=C(C=C1)C(N(CC2)C3=CC=CC=C3)C4=CC(=CC=C4)F
InChI
InChI=1S/C22H20FNO/c1-25-20-10-11-21-16(15-20)12-13-24(19-8-3-2-4-9-19)22(21)17-6-5-7-18(23)14-17/h2-11,14-15,22H,12-13H2,1H3
InChIKey
TWWCSPBEJNHFGN-UHFFFAOYSA-N
Compound name
1-(3-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]+ 334.16018 180.7
[M+Na]+ 356.14212 188.0
[M-H]- 332.14562 188.0
[M+NH4]+ 351.18672 193.5
[M+K]+ 372.11606 181.1
[M+H-H2O]+ 316.15016 168.9
[M+HCOO]- 378.15110 198.0
[M+CH3COO]- 392.16675 190.5
[M+Na-2H]- 354.12757 184.0
[M]+ 333.15235 177.7
[M]- 333.15345 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.