CID 388618

Nsc683629

Structural Information

Molecular Formula
C29H21FN2O
SMILES
COC1=CC=CC2=C1CCC3=C2N=C(C=C3C4=CC=C(C=C4)F)C5=NC6=CC=CC=C6C=C5
InChI
InChI=1S/C29H21FN2O/c1-33-28-8-4-6-22-21(28)14-15-23-24(18-9-12-20(30)13-10-18)17-27(32-29(22)23)26-16-11-19-5-2-3-7-25(19)31-26/h2-13,16-17H,14-15H2,1H3
InChIKey
FOHFZQFUSMKJGF-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-7-methoxy-2-quinolin-2-yl-5,6-dihydrobenzo[h]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.1638 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.17108 210.4
[M+Na]+ 455.15302 219.1
[M-H]- 431.15652 217.8
[M+NH4]+ 450.19762 218.9
[M+K]+ 471.12696 209.2
[M+H-H2O]+ 415.16106 194.7
[M+HCOO]- 477.16200 223.5
[M+CH3COO]- 491.17765 217.6
[M+Na-2H]- 453.13847 214.4
[M]+ 432.16325 208.8
[M]- 432.16435 208.8
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.