CID 379932

Nsc665124

Structural Information

Molecular Formula
C27H17NO2
SMILES
C1=CC=C(C=C1)C2=NC3=C(C4=CC=CC=C4C=C3)C(=C2)C(=O)C(=O)C5=CC=CC=C5
InChI
InChI=1S/C27H17NO2/c29-26(20-12-5-2-6-13-20)27(30)22-17-24(19-10-3-1-4-11-19)28-23-16-15-18-9-7-8-14-21(18)25(22)23/h1-17H
InChIKey
XIRMQVYDGQOBQF-UHFFFAOYSA-N
Compound name
1-phenyl-2-(3-phenylbenzo[f]quinolin-1-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.12592 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.13320 194.7
[M+Na]+ 410.11514 202.3
[M-H]- 386.11864 204.3
[M+NH4]+ 405.15974 205.1
[M+K]+ 426.08908 194.6
[M+H-H2O]+ 370.12318 182.5
[M+HCOO]- 432.12412 213.2
[M+CH3COO]- 446.13977 203.9
[M+Na-2H]- 408.10059 200.3
[M]+ 387.12537 195.2
[M]- 387.12647 195.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.