CID 466863

4-(furan-2-carbonyl)-3h-benzo[f]quinoline-3-carbonitrile

Structural Information

Molecular Formula
C19H12N2O2
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=CC(N3C(=O)C4=CC=CO4)C#N
InChI
InChI=1S/C19H12N2O2/c20-12-14-8-9-16-15-5-2-1-4-13(15)7-10-17(16)21(14)19(22)18-6-3-11-23-18/h1-11,14H
InChIKey
IXEBDUKJXUZWTO-UHFFFAOYSA-N
Compound name
4-(furan-2-carbonyl)-3H-benzo[f]quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.08987 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.09715 174.1
[M+Na]+ 323.07909 186.7
[M-H]- 299.08259 179.9
[M+NH4]+ 318.12369 188.2
[M+K]+ 339.05303 178.0
[M+H-H2O]+ 283.08713 159.0
[M+HCOO]- 345.08807 190.5
[M+CH3COO]- 359.10372 184.3
[M+Na-2H]- 321.06454 178.3
[M]+ 300.08932 170.9
[M]- 300.09042 170.9
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.