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]+ 348.13945 181.1
[M+Na]+ 370.12139 189.1
[M-H]- 346.12489 190.8
[M+NH4]+ 365.16599 193.4
[M+K]+ 386.09533 184.6
[M+H-H2O]+ 330.12943 170.5
[M+HCOO]- 392.13037 195.9
[M+CH3COO]- 406.14602 191.4
[M+Na-2H]- 368.10684 183.9
[M]+ 347.13162 179.1
[M]- 347.13272 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.