CID 698740

Isobutyl 6-methyl-2-(4-methylphenyl)-4-quinolinecarboxylate

Structural Information

Molecular Formula
C22H23NO2
SMILES
CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)OCC(C)C
InChI
InChI=1S/C22H23NO2/c1-14(2)13-25-22(24)19-12-21(17-8-5-15(3)6-9-17)23-20-10-7-16(4)11-18(19)20/h5-12,14H,13H2,1-4H3
InChIKey
COPXZSPPXXWKHT-UHFFFAOYSA-N
Compound name
2-methylpropyl 6-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.17288 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.18016 181.4
[M+Na]+ 356.16210 197.5
[M+NH4]+ 351.20670 189.6
[M+K]+ 372.13604 188.9
[M-H]- 332.16560 186.4
[M+Na-2H]- 354.14755 189.5
[M]+ 333.17233 185.4
[M]- 333.17343 185.4
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.