CID 1931236

Heptyl 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate

Structural Information

Molecular Formula
C24H26ClNO3
SMILES
CCCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Cl)C3=CC=C(C=C3)OC
InChI
InChI=1S/C24H26ClNO3/c1-3-4-5-6-7-14-29-24(27)21-16-23(17-8-11-19(28-2)12-9-17)26-22-13-10-18(25)15-20(21)22/h8-13,15-16H,3-7,14H2,1-2H3
InChIKey
VOGDXCRZGAJWHK-UHFFFAOYSA-N
Compound name
heptyl 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.16013 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.16741 200.4
[M+Na]+ 434.14935 216.7
[M+NH4]+ 429.19395 208.0
[M+K]+ 450.12329 206.3
[M-H]- 410.15285 204.9
[M+Na-2H]- 432.13480 207.7
[M]+ 411.15958 204.5
[M]- 411.16068 204.5
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.