CID 1739014

Butyl 8-methyl-2-phenylquinoline-4-carboxylate

Structural Information

Molecular Formula
C21H21NO2
SMILES
CCCCOC(=O)C1=CC(=NC2=C(C=CC=C12)C)C3=CC=CC=C3
InChI
InChI=1S/C21H21NO2/c1-3-4-13-24-21(23)18-14-19(16-10-6-5-7-11-16)22-20-15(2)9-8-12-17(18)20/h5-12,14H,3-4,13H2,1-2H3
InChIKey
PFJWQYWARSQQJC-UHFFFAOYSA-N
Compound name
butyl 8-methyl-2-phenylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.15723 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.16451 177.5
[M+Na]+ 342.14645 193.8
[M+NH4]+ 337.19105 186.0
[M+K]+ 358.12039 184.3
[M-H]- 318.14995 182.6
[M+Na-2H]- 340.13190 186.4
[M]+ 319.15668 181.5
[M]- 319.15778 181.5
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.