CID 230493

1-benzoyl-6-methoxy-2h-quinoline-2-carbonitrile

Structural Information

Molecular Formula
C18H14N2O2
SMILES
COC1=CC2=C(C=C1)N(C(C=C2)C#N)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H14N2O2/c1-22-16-9-10-17-14(11-16)7-8-15(12-19)20(17)18(21)13-5-3-2-4-6-13/h2-11,15H,1H3
InChIKey
MEKXJXIBGQRISZ-UHFFFAOYSA-N
Compound name
1-benzoyl-6-methoxy-2H-quinoline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

290.10553 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11281 170.6
[M+Na]+ 313.09475 180.9
[M-H]- 289.09825 174.9
[M+NH4]+ 308.13935 183.7
[M+K]+ 329.06869 173.5
[M+H-H2O]+ 273.10279 155.3
[M+HCOO]- 335.10373 186.5
[M+CH3COO]- 349.11938 180.1
[M+Na-2H]- 311.08020 174.3
[M]+ 290.10498 165.7
[M]- 290.10608 165.7
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.