CID 466870

4-acetyl-3h-benzo[f]quinoline-3-carbonitrile

Structural Information

Molecular Formula
C16H12N2O
SMILES
CC(=O)N1C(C=CC2=C1C=CC3=CC=CC=C32)C#N
InChI
InChI=1S/C16H12N2O/c1-11(19)18-13(10-17)7-8-15-14-5-3-2-4-12(14)6-9-16(15)18/h2-9,13H,1H3
InChIKey
ZUQUIQXWLZWMSU-UHFFFAOYSA-N
Compound name
4-acetyl-3H-benzo[f]quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.09496 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10224 159.6
[M+Na]+ 271.08418 171.0
[M-H]- 247.08768 162.4
[M+NH4]+ 266.12878 175.7
[M+K]+ 287.05812 163.0
[M+H-H2O]+ 231.09222 145.7
[M+HCOO]- 293.09316 174.7
[M+CH3COO]- 307.10881 169.9
[M+Na-2H]- 269.06963 165.0
[M]+ 248.09441 154.2
[M]- 248.09551 154.2
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.