CID 1931236

355421-23-7

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 200.7
[M+Na]+ 434.14935 208.3
[M-H]- 410.15285 206.1
[M+NH4]+ 429.19395 211.9
[M+K]+ 450.12329 201.6
[M+H-H2O]+ 394.15739 190.9
[M+HCOO]- 456.15833 215.0
[M+CH3COO]- 470.17398 225.6
[M+Na-2H]- 432.13480 201.9
[M]+ 411.15958 208.9
[M]- 411.16068 208.9
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.