CID 13467515

1,3-dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-5-(2-fluorophenyl)-6-phenyl-

Structural Information

Molecular Formula
C22H18FNO2
SMILES
C1CN(C(C2=CC3=C(C=C21)OCO3)C4=CC=CC=C4F)C5=CC=CC=C5
InChI
InChI=1S/C22H18FNO2/c23-19-9-5-4-8-17(19)22-18-13-21-20(25-14-26-21)12-15(18)10-11-24(22)16-6-2-1-3-7-16/h1-9,12-13,22H,10-11,14H2
InChIKey
YQFAARLYHRUZFL-UHFFFAOYSA-N
Compound name
5-(2-fluorophenyl)-6-phenyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.13217 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.139446 181.1
[M+Na]+ 370.121388 189.1
[M-H]- 346.124894 190.8
[M+NH4]+ 365.165993 193.4
[M+K]+ 386.095328 184.6
[M+H-H2O]+ 330.129430 170.5
[M+HCOO]- 392.130371 195.9
[M+CH3COO]- 406.146021 191.4
[M+Na-2H]- 368.106836 183.9
[M]+ 347.13162142 179.1
[M]- 347.13271858 179.1
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.