CID 3024630

1,2,3,4-tetrahydro-6,7-dimethoxy-1-(2-fluorophenyl)-2-phenylisoquinoline

Structural Information

Molecular Formula
C23H22FNO2
SMILES
COC1=C(C=C2C(N(CCC2=C1)C3=CC=CC=C3)C4=CC=CC=C4F)OC
InChI
InChI=1S/C23H22FNO2/c1-26-21-14-16-12-13-25(17-8-4-3-5-9-17)23(19(16)15-22(21)27-2)18-10-6-7-11-20(18)24/h3-11,14-15,23H,12-13H2,1-2H3
InChIKey
YGUXVCXVUQCACA-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)-6,7-dimethoxy-2-phenyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.16345 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.17073 189.1
[M+Na]+ 386.15267 196.6
[M-H]- 362.15617 196.6
[M+NH4]+ 381.19727 200.8
[M+K]+ 402.12661 190.3
[M+H-H2O]+ 346.16071 176.9
[M+HCOO]- 408.16165 206.1
[M+CH3COO]- 422.17730 198.6
[M+Na-2H]- 384.13812 191.1
[M]+ 363.16290 188.2
[M]- 363.16400 188.2
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.