CID 3024628

1,2,3,4-tetrahydro-1,2-bis(3-fluorophenyl)-6-methoxyisoquinoline

Structural Information

Molecular Formula
C22H19F2NO
SMILES
COC1=CC2=C(C=C1)C(N(CC2)C3=CC(=CC=C3)F)C4=CC(=CC=C4)F
InChI
InChI=1S/C22H19F2NO/c1-26-20-8-9-21-15(13-20)10-11-25(19-7-3-6-18(24)14-19)22(21)16-4-2-5-17(23)12-16/h2-9,12-14,22H,10-11H2,1H3
InChIKey
DZFOJIAPAGYNSN-UHFFFAOYSA-N
Compound name
1,2-bis(3-fluorophenyl)-6-methoxy-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.14346 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15074 184.8
[M+Na]+ 374.13268 193.1
[M-H]- 350.13618 191.1
[M+NH4]+ 369.17728 197.1
[M+K]+ 390.10662 185.7
[M+H-H2O]+ 334.14072 172.1
[M+HCOO]- 396.14166 200.9
[M+CH3COO]- 410.15731 194.3
[M+Na-2H]- 372.11813 186.6
[M]+ 351.14291 181.2
[M]- 351.14401 181.2
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.