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

19
Patents

290.10553 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.112806 170.6
[M+Na]+ 313.094748 180.9
[M-H]- 289.098254 174.9
[M+NH4]+ 308.139353 183.7
[M+K]+ 329.068688 173.5
[M+H-H2O]+ 273.102790 155.3
[M+HCOO]- 335.103731 186.5
[M+CH3COO]- 349.119381 180.1
[M+Na-2H]- 311.080196 174.3
[M]+ 290.10498142 165.7
[M]- 290.10607858 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

literature stripe

Patent stripe

patents stripe