CID 4517082

355421-12-4

Structural Information

Molecular Formula
C24H26ClNO2
SMILES
CCCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Cl)C3=CC=C(C=C3)C
InChI
InChI=1S/C24H26ClNO2/c1-3-4-5-6-7-14-28-24(27)21-16-23(18-10-8-17(2)9-11-18)26-22-13-12-19(25)15-20(21)22/h8-13,15-16H,3-7,14H2,1-2H3
InChIKey
PYECGCIRNWUOBC-UHFFFAOYSA-N
Compound name
heptyl 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.1652 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.17248 197.8
[M+Na]+ 418.15442 205.7
[M-H]- 394.15792 203.2
[M+NH4]+ 413.19902 209.8
[M+K]+ 434.12836 198.2
[M+H-H2O]+ 378.16246 188.2
[M+HCOO]- 440.16340 212.0
[M+CH3COO]- 454.17905 223.6
[M+Na-2H]- 416.13987 198.9
[M]+ 395.16465 204.6
[M]- 395.16575 204.6
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.